SCHEMBL4508097

SCHEMBL4508097

Cc1cc(N)c(Br)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
CYP3A4 P08684 3/20 0.63
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 8/20 0.44
TDP1 Q9NUW8 3/20 0.42
CD44 P16070 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
THRB P10828 1/20 0.41
NR4A1 P22736 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UHRF1 Q96T88 1/20 0.39
CYP1A2 P05177 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
Benzene SCHEMBL27906205 0.95 CYP3A4 (0.57) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL3439643 0.88 CYP3A4 (0.63) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL8121628 0.88 CYP3A4 (0.55) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL2321600 0.86 CYP3A4 (0.52) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL9068413 0.86 CYP3A4 (0.46) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL10620546 0.83 CYP3A4 (0.43) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL272760 0.82 CYP3A4 (0.63) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL15515282 0.79 CYP3A4 (0.46) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL5238545 0.79 CD44 (0.65) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL832549 0.79 KDM1A (0.41) TSHRCYP3A4MAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-08 US disclosed
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
CN-111683955-B Compound and organic light-emitting element comprising same 株式会社LG化学 2023-12-08 CN disclosed
WO-2022242521-A1 CONDENSED AZACYCLIC COMPOUND, USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING CONDENSED AZACYCLIC COMPOUND 浙江虹舞科技有限公司 2022-11-24 WO disclosed
CN-115368370-A Condensed nitrogen heterocyclic compound, application thereof and organic electroluminescent device containing compound 浙江虹舞科技有限公司 2022-11-22 CN disclosed
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
CN-111683955-A Compound and organic light-emitting element comprising same 株式会社LG化学 2020-09-18 CN disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-20060183904-A1 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1613601-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co. Inc. (US) 2006-01-11 EP disclosed
CN-1665804-A 4, 4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LTD (JP) 2005-09-07 CN disclosed
CN-1659161-A Piperidine derivatives having CCR3 antagonism TEIJIN LTD (JP) 2005-08-24 CN disclosed
EP-1505067-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-09 EP disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
WO-2004089307-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO. INC. (US) 2004-10-21 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 (8 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 TSHR 1036/4885CYP3A4 2641/4885MAPK1 2109/4885
US-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B TSHR 96/4885CYP3A4 1389/4885MAPK1 1728/4885
US-20060183904-A1 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R TSHR 436/4885CYP3A4 735/4885MAPK1 2952/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 TSHR 3393/4885CYP3A4 1305/4885MAPK1 1077/4885
US-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPRO, PTPRC, PTPRR TSHR 248/4885CYP3A4 1270/4885MAPK1 667/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 TSHR 2336/4885CYP3A4 1224/4885MAPK1 591/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 TSHR 1003/4885CYP3A4 4631/4885MAPK1 1754/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 TSHR 911/4885CYP3A4 4809/4885MAPK1 861/4885

“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.