SCHEMBL510781

SCHEMBL510781

Cc1ccc(Oc2ccc(C=O)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
KDM4E B2RXH2 2/20 0.41
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
CYP2A6 P11509 2/20 0.39
MMP13 P45452 1/20 0.39
TEAD4 Q15561 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9050215 0.86 ALDH1A1 (0.47) HTTMAPTCYP2A6ALDH1A1MEN1
SCHEMBL509618 0.82 GAA (0.42) PPARGALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL1106849 0.81 LMNA (0.44) PPARGCYP2A6ALDH1A1POLBKMT2A
SCHEMBL4741247 0.81 ALDH1A3 (0.51) ALDH1A1POLBMEN1KMT2ACYP2C9
SCHEMBL15177137 0.81 PPARG (0.41) PPARGKDM4EHTTMAPTMMP13
SCHEMBL4963725 0.78 KDM4E (0.44) KDM4EMAPTALDH1A1POLBMEN1
SCHEMBL31356847 0.78 EPHX2 (0.40) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL18626699 0.78 CA1 (0.38) ALDH1A1CA1CA2CA9
SCHEMBL9047141 0.78 PPARG (0.30) PPARG
SCHEMBL4964075 0.77 PARP10 (0.57) ALDH1A1KMT2ACA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 EP disclosed
US-9714213-B2 4-aminomethylbenzoic acid derivative TOA EIYO LTD. (JP) 2017-07-25 US disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD. (JP) 2016-09-15 US disclosed
EP-3059224-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA Eiyo Ltd. (JP) 2016-08-24 EP disclosed
CN-105658621-A 4-aminomethyl benzoic acid derivatives 东亚荣养株式会社 2016-06-08 CN disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 PPARG 4586/4885KDM4E 3045/4885HTT 4467/4885
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE ALDH7A1, CYP2B6, CYP2A6 PPARG 600/4885KDM4E 751/4885HTT 3049/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL PPARG 990/4885KDM4E 2085/4885HTT 2606/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 PPARG 4552/4885KDM4E 1711/4885HTT 4864/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C PPARG 467/4885KDM4E 2386/4885HTT 2613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.