SCHEMBL423672

SCHEMBL423672

Cc1cc(N=C=O)ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
TRPA1 O75762 1/20 0.58
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 4/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32

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
SCHEMBL419490 0.84 CYP3A4 (0.63) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL58809 0.81 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11517806 0.81 MAPK1 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL2886976 0.80 P2RY6 (0.41) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL3421735 0.80 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL667517 0.79 CYP3A4 (0.62) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29373346 0.78 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL77895 0.78 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29870840 0.78 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL1169221 0.78 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1481369-A Substituted phenyluracils compound �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-03-10 CN claimed
EP-1330443-A1 SUBSTITUTED PHENYLURACILS Bayer CropScience AG (DE) 2003-07-30 EP claimed
WO-2002034725-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2002-05-02 WO claimed
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2025-06-24 US disclosed
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-08-29 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US disclosed
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-04-30 US disclosed
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
CN-113851656-B Negative electrode piece and lithium ion battery comprising same 珠海冠宇电池股份有限公司 2023-08-15 CN disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
EP-1330443-A1 SUBSTITUTED PHENYLURACILS Bayer CropScience AG (DE) 2003-07-30 EP disclosed
WO-2002034725-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2002-05-02 WO disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998047868-A1 HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-29 WO 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 (6 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK CYP3A4 2280/4885TRPA1 4132/4885TDP1 613/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK CYP3A4 2280/4885TRPA1 4132/4885TDP1 613/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885TRPA1 4870/4885TDP1 1868/4885
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP4X1, CYP11B2 CYP3A4 6/4885TRPA1 2677/4885TDP1 1837/4885
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP11B2, CYP4X1 CYP3A4 10/4885TRPA1 2277/4885TDP1 1726/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 CYP3A4 10/4885TRPA1 2277/4885TDP1 1726/4885

“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.