SCHEMBL7939779

SCHEMBL7939779

Cc1ccccc1-c1cccc(N)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 2/20 0.56
PIK3CA P42336 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
CD44 P16070 1/20 0.50
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DPP4 P27487 1/20 0.42
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL22675646 0.88 CYP3A4 (0.59) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL30839749 0.88 CYP3A4 (0.72) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL2206282 0.88 CYP3A4 (0.72) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL3781456 0.86 ALDH1A1 (0.65) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL3789724 0.84 CD44 (0.60) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL398724 0.83 ALDH1A1 (0.68) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL3786474 0.82 CYP3A4 (0.56) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL29414659 0.82 CD44 (0.62) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL31607703 0.82 CYP3A4 (0.56) CYP3A4TSHRPIK3CATDP1CD44
SCHEMBL3794848 0.82 CD44 (0.62) CYP3A4TSHRPIK3CATDP1CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043210-A1 ORGANIC LIGHT-EMITTING ELEMENT, AND DISPLAY DEVICE, IMAGING DEVICE, LIGHTING DEVICE, AND MOVING OBJECT HAVING SAID ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2024-02-29 WO disclosed
US-20210193930-A1 ORGANIC COMPOUND, OPTICAL DEVICE, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-06-24 US disclosed
WO-2021047556-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF 上海长森药业有限公司 2021-03-18 WO disclosed
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 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 (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-20210193930-A1 ORGANIC COMPOUND, OPTICAL DEVICE, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE NR2E3, AOX1, CYP1A1 CYP3A4 377/4885TSHR 2848/4885PIK3CA 4048/4885

“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.