SCHEMBL110476

SCHEMBL110476

N#Cc1cccc(C(=O)O)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ALDH1A1 P00352 2/20 0.45
MGLL Q99685 1/20 0.43
ALOX15 P16050 1/20 0.43
XDH P47989 2/20 0.42
NOTUM Q6P988 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
POLB P06746 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
NR4A1 P22736 2/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL30294872 1.00 TSHR (0.57) TSHRALDH1A1MGLLALOX15XDH
SCHEMBL8681119 0.83 NOTUM (0.41) TSHRALDH1A1MGLLALOX15NOTUM
SCHEMBL17351005 0.83 NPC1 (0.43) TSHRALDH1A1MGLLLMNASMN1; SMN2
SCHEMBL27850891 0.82 TSHR (0.44) TSHRALDH1A1XDHSMN1; SMN2MRGPRX4
SCHEMBL4847999 0.81 TSHR (0.44) TSHRXDHNOTUMNR4A1NR4A2
SCHEMBL28025073 0.81 TSHR (0.62) TSHRALDH1A1ALOX15NOTUMLMNA
SCHEMBL10411944 0.81 TSHR (0.57) TSHRALDH1A1ALOX15LMNASMN1; SMN2
SCHEMBL23509041 0.81 MGLL (0.38) TSHRALDH1A1MGLLALOX15XDH
SCHEMBL29365220 0.79 ALDH1A1 (0.56) TSHRALDH1A1ALOX15LMNASMN1; SMN2
SCHEMBL180853 0.79 ALDH1A1 (0.56) TSHRALDH1A1ALOX15LMNASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 CN disclosed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
CN-103494815-A Agent for overcoming resistance to anti-cancer agent NIPPON CHEMIPHAR CO 2014-01-08 CN disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-4404220-A INSECTIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-13 US disclosed
US-4299772-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1981-11-10 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 (2 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 TSHR 4032/4885ALDH1A1 1904/4885MGLL 3291/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 TSHR 4032/4885ALDH1A1 1904/4885MGLL 3291/4885

“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.