SCHEMBL1502364

SCHEMBL1502364

O=C(O)c1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.44
LDHA P00338 1/20 0.44
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
P4HA1 P13674 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
TTR P02766 1/20 0.42
CHEK1 O14757 2/20 0.41
CAMK2D Q13557 1/20 0.41

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
Hydrochloric Acid SCHEMBL1502313 0.98 KDM4E (0.45) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3963134 0.84 MKNK2 (0.47) CAMKK2CHEK1CAMK2D
4-Nitrobenzoic Acid SCHEMBL17460232 0.81 TDP1 (0.55) ALDH1A1LDHAPOLBGAASRD5A2
SCHEMBL1759307 0.81 KMO (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1501993 0.80 ALDH1A1 (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1502412 0.80 KMO (0.51) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20054187 0.80 AKT1 (0.30)
SCHEMBL23559714 0.79 P4HTM (0.47) KDM4EALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL4063789 0.76 AKT1 (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2694736 0.76 CA12 (0.50) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed
EP-2984091-B1 DIHYDROPYRIDO PYRIMIDINE COMPOUNDS AS AUTOTAXIN INHIBITORS LILLY CO ELI (US) 2017-03-01 EP disclosed
EP-1082303-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
US-6140504-A Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-31 US disclosed
US-6080767-A Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-27 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1999057099-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 WO disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO 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 (4 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 KDM4E 4292/4885ALDH1A1 4063/4885RAB9A 4207/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 KDM4E 4292/4885ALDH1A1 4063/4885RAB9A 4207/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 KDM4E 4292/4885ALDH1A1 4063/4885RAB9A 4207/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT KDM4E 271/4885ALDH1A1 983/4885RAB9A 3530/4885

“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.