SCHEMBL1680427

SCHEMBL1680427

N#Cc1ccc(Oc2ccccc2F)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX1 Q96LB2 5/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ESR1 P03372 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CXCL8 P10145 1/20 0.35
RHEB Q15382 1/20 0.34
NR1H3 Q13133 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL1680773 0.81 AR (0.47) KMT2ASLC22A12ALDH1A1MAPTHTR1A
SCHEMBL921472 0.81 AR (0.47) MEN1KMT2ASLC22A12ALDH1A1MAPT
SCHEMBL1106848 0.77 TSHR (0.41) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL510507 0.75 GAA (0.43) MEN1KMT2ASLC22A12ALDH1A1MAPT
SCHEMBL18603934 0.74 POLB (0.53) MEN1KMT2ASLC22A12ALDH1A1MAPT
SCHEMBL30872202 0.74 POLB (0.53) MEN1KMT2ASLC22A12ALDH1A1MAPT
SCHEMBL12352101 0.71 MRGPRX1 (0.36) MEN1KMT2AALDH1A1L3MBTL1MRGPRX1
SCHEMBL1680741 0.71 CYP2E1 (0.40) MEN1KMT2AALDH1A1L3MBTL1MRGPRX1
SCHEMBL1680332 0.70 VEGFA (0.38) SLC22A12ALDH1A1MAPTMRGPRX1HTR1A
SCHEMBL2389927 0.70 HTR1A (0.55) MEN1KMT2AALDH1A1L3MBTL1MRGPRX1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MEN1 351/4885KMT2A 3747/4885SLC22A12 1759/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MEN1 1165/4885KMT2A 2620/4885SLC22A12 1257/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MEN1 248/4885KMT2A 3740/4885SLC22A12 2031/4885

“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.