SCHEMBL423355

SCHEMBL423355

Cc1ccc(I)c(C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.37
NTRK1 P04629 1/20 0.36
HTT P42858 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
METAP2 P50579 1/20 0.36
NOTUM Q6P988 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CYP2C9 P11712 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GFER P55789 1/20 0.33
CYP1A2 P05177 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
SCHEMBL18329485 0.83 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL421498 0.82 HTT (0.35) MEN1KMT2ANTRK1HTTKDM4C
SCHEMBL22894087 0.82 HTT (0.35) MEN1KMT2ANTRK1HTTKDM4C
SCHEMBL9955375 0.79 CA12 (0.41) KMT2AMAPK1HTTKDM4CNOTUM
SCHEMBL10598245 0.79 METAP2 (0.41) MEN1KMT2ASMN1; SMN2MAPK1METAP2
SCHEMBL6418751 0.79 CES2 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL1018937 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL8218259 0.78 METAP2 (0.41) MEN1KMT2ASMN1; SMN2METAP2
SCHEMBL22980390 0.78 DPP4 (0.47) NOTUMHPGD
SCHEMBL9381963 0.78 CA12 (0.46) MEN1KMT2ASMN1; SMN2MAPK1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
EP-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 EP disclosed
EP-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 EP disclosed
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
US-7598283-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. 2008-03-27 US disclosed
US-7297709-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2007-11-20 US disclosed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABBOTT LABORATORIES 2004-11-25 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 (9 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-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK MEN1 2549/4885KMT2A 1422/4885SMN1; SMN2 4807/4885
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 MEN1 885/4885KMT2A 809/4885SMN1; SMN2 856/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK MEN1 2549/4885KMT2A 1422/4885SMN1; SMN2 4807/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R MEN1 1769/4885KMT2A 1281/4885SMN1; SMN2 2907/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R MEN1 1769/4885KMT2A 1281/4885SMN1; SMN2 2907/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 MEN1 2321/4885KMT2A 1561/4885SMN1; SMN2 4755/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK MEN1 2549/4885KMT2A 1422/4885SMN1; SMN2 4807/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MEN1 1769/4885KMT2A 1281/4885SMN1; SMN2 2907/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MEN1 1769/4885KMT2A 1281/4885SMN1; SMN2 2907/4885

“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.