SCHEMBL2584679

SCHEMBL2584679

O=C(Cl)c1cncc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.67
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
IDO1 P14902 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
DDO Q99489 1/20 0.36
SLC18A3 Q16572 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ABL1 P00519 1/20 0.35
MYC P01106 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
Hydrochloric Acid SCHEMBL17801683 0.98 HCAR2 (0.64) HCAR2CES2CES1IDO1PTGS1
SCHEMBL2268149 0.84 HCAR2 (0.48) HCAR2PTGS1PTGS2POLBKDM4E
5-Fluoronicotinic Acid SCHEMBL29951819 0.80 HCAR2 (1.00) HCAR2CES2CES1PTGS1PTGS2
5-Fluoronicotinic Acid SCHEMBL430582 0.80 HCAR2 (1.00) HCAR2CES2CES1PTGS1PTGS2
SCHEMBL27690850 0.79 HCAR2 (0.62) HCAR2CES2CES1PTGS1PTGS2
SCHEMBL2722765 0.78 HCAR2 (0.67) HCAR2CES2CES1PTGS1PTGS2
SCHEMBL2714659 0.78 HCAR2 (0.67) HCAR2KDM4EMEN1ALDH1A1LMNA
SCHEMBL29540435 0.78 HCAR2 (0.67) HCAR2KDM4EMEN1ALDH1A1LMNA
5-Fluoronicotinic Acid SCHEMBL29235098 0.78 HCAR2 (0.96) HCAR2CES2CES1PTGS1PTGS2
5-Fluoronicotinic Acid SCHEMBL27617092 0.78 HCAR2 (0.96) HCAR2CES2CES1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358487-B Lappaconitine derivative, and preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-25 CN claimed
WO-2022099937-A1 LAPPACONITINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院新疆理化技术研究所 2022-05-19 WO claimed
CN-112358487-A Lappaconitine derivative and preparation method and application thereof 中国科学院新疆理化技术研究所 2021-02-12 CN claimed
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2025-04-17 US disclosed
US-12077542-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-09-03 US disclosed
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
CN-112358487-B Lappaconitine derivative, and preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-25 CN disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 US disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
CN-101263130-B 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV 2011-03-09 CN disclosed
CN-101263130-A 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-10 CN disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 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 (4 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 HCAR2 37/4885CES2 1240/4885CES1 449/4885
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 HCAR2 14/4885CES2 1909/4885CES1 1139/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 HCAR2 14/4885CES2 1909/4885CES1 1139/4885
US-12077542-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 HCAR2 14/4885CES2 1909/4885CES1 1139/4885

“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.