SCHEMBL1012745

SCHEMBL1012745

Nc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
AHR P35869 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
KIF11 P52732 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC13A3 Q8WWT9 1/20 0.36

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
SCHEMBL29944959 1.00 CYP3A4 (0.55) CYP3A4TP53TSHRMAPK1RAPGEF4
Hydrochloric Acid SCHEMBL1971196 0.98 CYP3A4 (0.52) CYP3A4TP53TSHRMAPK1RAPGEF4
SCHEMBL22081766 0.82 CYP3A4 (0.50) CYP3A4TP53TSHRMAPK1RAPGEF4
SCHEMBL130383 0.82 TSHR (0.56) TSHRMAPK1NR2E1KIF11ALDH1A1
SCHEMBL394717 0.82 TSHR (0.56) TSHRMAPK1NR2E1KIF11ALDH1A1
SCHEMBL3786224 0.82 RAPGEF4 (0.47) CYP3A4TSHRRAPGEF4ADORA2AADORA1
SCHEMBL321756 0.82 AHR (0.52) CYP3A4TP53TSHRRAPGEF4ADORA2A
Iodide SCHEMBL31550893 0.79 TSHR (0.54) TSHRMAPK1NR2E1KIF11ALDH1A1
Hydrochloric Acid SCHEMBL9741395 0.79 TSHR (0.54) TSHRMAPK1NR2E1KIF11ALDH1A1
SCHEMBL27859051 0.79 TSHR (0.54) TSHRMAPK1NR2E1KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101157618-A Preparation technique of 3-chlorin-5 amido benzotrifluoride GAOYOU GUANGMING CHEMICALS PLA (CN) 2008-04-09 CN claimed
US-12545654-B2 MYC inhibitors and uses thereof STEMSYNERGY THERAPEUTICS, INC. (US) 2026-02-10 US disclosed
US-12312333-B2 SK channel positive allosteric modulators CHAPMAN UNIVERSITY (US) 2025-05-27 US disclosed
US-20240417389-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-12-19 US disclosed
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 US disclosed
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 US disclosed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 WO disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
US-3960890-A CONTROL OF ECTOPARASITES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (7 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-20240417389-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 CYP3A4 3345/4885TP53 835/4885TSHR 2709/4885
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CYP3A4 4327/4885TP53 1014/4885TSHR 3612/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 CYP3A4 256/4885TP53 2525/4885TSHR 2605/4885
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof ALK, NTRK1, ERBB2 CYP3A4 1522/4885TP53 1642/4885TSHR 759/4885
US-12312333-B2 SK channel positive allosteric modulators KCNN1, KCNN4, KCNN2 CYP3A4 1788/4885TP53 4123/4885TSHR 1600/4885
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 CYP3A4 1786/4885TP53 2066/4885TSHR 4429/4885
US-12545654-B2 MYC inhibitors and uses thereof MYC, MYCBP, NR2E1 CYP3A4 4008/4885TP53 93/4885TSHR 817/4885

“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.