SCHEMBL580651

SCHEMBL580651

Cc1c(N)ccc(Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
TSHR P16473 3/20 0.46
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 4/20 0.40
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AXL P30530 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 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
SCHEMBL1590024 0.82 ALDH1A1 (0.42) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL29384787 0.82 CYP3A4 (0.62) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL33944 0.82 CYP3A4 (0.62) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL29380074 0.82 ALDH1A1 (0.42) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL29901155 0.81 ALDH1A1 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL30238695 0.81 ALDH1A1 (0.42) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL145182 0.81 ALDH1A1 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL2319989 0.81 ALDH1A1 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL767268 0.79 ALDH1A1 (0.44) CYP3A4TSHRPIK3CAALDH1A1TDP1
Hydrochloric Acid SCHEMBL529931 0.78 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813610-B Selenophene-containing cycloindole sulfonate inner salt and preparation method and application thereof 德州学院 2023-11-21 CN claimed
CN-116813610-A Selenophene-containing cycloindole sulfonate inner salt and preparation method and application thereof 德州学院 2023-09-29 CN claimed
EP-1086185-A1 ADHESIVE FORMULATIONS Lord Corporation (US) 2001-03-28 EP claimed
WO-1999064529-A1 ADHESIVE FORMULATIONS LORD CORPORATION (US) 1999-12-16 WO claimed
EP-0558857-A1 Method for the manufacture of P-bromodimethyl aniline IMI (TAMI) INSTITUTE FOR RESEARCH & DEVELOPMENT LTD. (IL) 1993-09-08 EP claimed
US-4983754-A Method for the manufacture of dimethyl, octyl - or pentyl - para-aminobenzoic acid BROMINE COMPOUNDS LTD. (IL) 1991-01-08 US claimed
JP-5221932-A None JP disclosed
JP-7179463-A None JP disclosed
US-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-05-29 US disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN disclosed
WO-2025049824-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS, PBC (US) 2025-03-06 WO disclosed
EP-3105202-B1 GRAPHENE NANORIBBONS WITH CONTROLLED ZIG-ZAG EDGE AND COVE EDGE CONFIGURATION BASF SE (DE) 2024-11-13 EP disclosed
EP-0116974-A1 11-Beta-aryl-estradienes, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-29 EP disclosed
US-4341894-A 2,4,6 TRI-SUBSTITUTED PYRYLIUM DYE SALTS EASTMAN KODAK COMPANY (US) 1982-07-27 US disclosed
US-4167412-A COMPRISING A PYRYLIUM OR THIOPYRYLIUM SALT EASTMAN KODAK COMPANY (US) 1979-09-11 US disclosed
US-4113497-A COMPOSITIONS WITH ORGANOHALOGEN COMPOUND AND DIAZONIUM SALTS AS PHOTOINITIATORS OF EPOXY COMPOUNDS IN PHOTO-POLYMERIZATION AMERICAN CAN COMPANY (US) 1978-09-12 US disclosed
US-3988152-A Epoxy resin photoresist with iodoform and bismuth triphenyl AMERICAN CAN COMPANY (US) 1976-10-26 US disclosed
US-3977878-A Epoxy resin photoresist with iodoform and bismuth triphenyl AMERICAN CAN COMPANY (US) 1976-08-31 US disclosed
US-3977874-A CATIONIC CATALYST, PHOTOPOLYMERIZATION AMERICAN CAN COMPANY (US) 1976-08-31 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-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, BCKDK, CYP11B2 CYP3A4 144/4885TSHR 3687/4885PIK3CA 1972/4885

“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.