SCHEMBL668136

SCHEMBL668136

Cc1cc(C)nc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
LCK P06239 1/20 0.47
TPMT P51580 1/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GPR35 Q9HC97 2/20 0.43
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
NOS1 P29475 1/20 0.43
CTSA P10619 2/20 0.42
DAO P14920 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
IGFBP3 P17936 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SORT1 Q99523 1/20 0.40

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
SCHEMBL9507755 0.98 ALOX15 (0.46) ALOX15TSHRHIF1ALCKTPMT
SCHEMBL14136412 0.88 ALOX15 (0.61) ALOX15TSHRHIF1ATPMTALDH1A1
Hydrochloric Acid SCHEMBL18640672 0.86 ALOX15 (0.58) ALOX15TSHRHIF1ATPMTALDH1A1
SCHEMBL875421 0.82 NOS3 (0.43) LCKMAPK1ALDH1A1SMN1; SMN2NOS3
Bicarbonate SCHEMBL9343614 0.80 NOS3 (0.50) LCKTPMTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3112850 0.80 LMNA (0.48) LCKNOS3NOS2NOS1CTSA
SCHEMBL4772052 0.80 ALOX15 (0.46) ALOX15TSHRHIF1AMAPK1ALDH1A1
SCHEMBL3686639 0.80 ALOX15 (0.71) ALOX15TSHRHIF1ATPMTMAPK1
SCHEMBL25222774 0.78 NOS2 (0.50) ALOX15TSHRHIF1ATPMTGPR35
SCHEMBL1424923 0.78 ALDH1A1 (0.47) ALOX15TSHRHIF1AMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 EP claimed
WO-2013190508-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-12-27 WO claimed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US claimed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
JP-2011529057-A 2011-12-01 JP claimed
CN-102105437-A Adamantyl diamide derivatives and uses of same LUNDBECK & CO AS H 2011-06-22 CN claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP claimed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2021-03-16 US disclosed
EP-3535267-B1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-30 EP disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
US-20190276462-A1 [1,2,4]TRIAZOLO[1,5‐A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 US disclosed
EP-0075905-B1 WATER-SOLUBLE REACTIVE PHTHALOCYANINE COMPOUNDS; PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-15 EP disclosed
EP-0053789-B1 2-PYRIDINECARBOXAMIDE DERIVATIVE, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION, USEFUL AS AN ANTI-ALLERGIC AGENT Tanabe Seiyaku Co., Ltd. (JP) 1985-03-27 EP disclosed
US-4404214-A 2-Pyridinecarboxamide derivatives compositions containing same and method of using same TANABE SEIYAKU CO., LTD. (JP) 1983-09-13 US disclosed
EP-0053789-A1 2-Pyridinecarboxamide derivative, process for preparing same and pharmaceutical composition, useful as an anti-allergic agent Tanabe Seiyaku Co., Ltd. (JP) 1982-06-16 EP disclosed
US-4237050-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-02 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-20190276462-A1 [1,2,4]TRIAZOLO[1,5‐A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A ALOX15 2437/4885TSHR 3689/4885HIF1A 3208/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B ALOX15 3886/4885TSHR 1530/4885HIF1A 1428/4885
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC ALOX15 2533/4885TSHR 4165/4885HIF1A 3976/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 ALOX15 3884/4885TSHR 359/4885HIF1A 680/4885
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A ALOX15 2243/4885TSHR 3840/4885HIF1A 3635/4885

“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.