SCHEMBL9704498

SCHEMBL9704498

Cc1nc(Cl)c(C(=O)O)c(C)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PDE10A Q9Y233 1/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DHODH Q02127 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FABP3 P05413 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
SCHEMBL31440847 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL21906012 0.82 POLB (0.52) ALDH1A1MAPK1SMN1; SMN2LMNATSHR
SCHEMBL29286519 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2LMNAPDE10A
SCHEMBL31644530 0.79 LMNA (0.51) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL21906090 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2LMNAPOLB
Hydrochloric Acid SCHEMBL11554060 0.79 IDO1 (0.40) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL17008019 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2HPGDTSHR
SCHEMBL31518421 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2HPGDTSHR
SCHEMBL20614247 0.75 ALDH1A1 (0.42) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL4424068 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-13 US disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2025-01-14 US disclosed
CN-113272293-B 2-Amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitor 默沙东有限责任公司 2024-06-14 CN disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-09-15 US disclosed
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2022-07-05 US disclosed
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-16 US disclosed
EP-3873893-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
CN-113272293-A 2-amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitors 默沙东公司 2021-08-17 CN disclosed
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-05-07 US disclosed
EP-0482481-A1 Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-04-29 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 (8 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-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A ALDH1A1 1048/4885MAPK1 1705/4885SMN1; SMN2 850/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885MAPK1 4063/4885SMN1; SMN2 582/4885
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A ALDH1A1 1048/4885MAPK1 1705/4885SMN1; SMN2 850/4885
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A ALDH1A1 1048/4885MAPK1 1705/4885SMN1; SMN2 850/4885
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A ALDH1A1 1048/4885MAPK1 1705/4885SMN1; SMN2 850/4885
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A ALDH1A1 1048/4885MAPK1 1705/4885SMN1; SMN2 850/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885MAPK1 4063/4885SMN1; SMN2 582/4885
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A ALDH1A1 1048/4885MAPK1 1705/4885SMN1; SMN2 850/4885

“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.