SCHEMBL1711531

SCHEMBL1711531

CC1(C)N=C(Cl)c2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BACE1 P56817 3/20 0.33
KCNH2 Q12809 2/20 0.33
MAPK1 P28482 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
IDO1 P14902 1/20 0.32
GLA P06280 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL16541598 0.78 MAPK1 (0.37) ALDH1A1MAPTHPGDKDM4EBACE1
SCHEMBL13194218 0.77 BACE1 (0.48) ALDH1A1MAPTHPGDBACE1KCNH2
SCHEMBL9846695 0.77 BACE1 (0.34) ALDH1A1MAPTHPGDBACE1KCNH2
SCHEMBL31619249 0.75 PTGES (0.39) BACE1
SCHEMBL9377301 0.75 AHR (0.34) MAPTKDM4EBACE1SMN1; SMN2
SCHEMBL31619210 0.74 PGR (0.33) HPGDIDO1NPC1TP53RAB9A
SCHEMBL1666766 0.73 ALDH1A1 (0.35) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL31619307 0.73 ALDH1A1 (0.36) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9372695 0.73 PPIB (0.42) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL9372439 0.72 ABCC9 (0.39) KDM4EBACE1

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
WO-2025121436-A1 BICYCLIC HETEROCYCLIC COMPOUND AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2025-06-12 WO disclosed
CN-108658851-B 2-chloro-3-methyl-6-acylaminopyridine and preparation method and application thereof 山东特珐曼药业有限公司 2023-06-06 CN disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1999051232-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051234-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051233-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051596-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051231-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051595-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
EP-0847996-A1 Sulfonamide substituted compounds as K-channel blockers HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed
EP-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 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 (1 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-20150166516-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 ALDH1A1 2268/4885MAPT 4795/4885HPGD 1728/4885

“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.