SCHEMBL6057640

SCHEMBL6057640

Cc1c(N)ccc(Br)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPT P10636 6/20 0.34
THRB P10828 3/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL31559931 0.84 KDM4E (0.41) KDM4EGLAKMT2AMEN1TDP1
SCHEMBL3980785 0.84 KDM4E (0.41) KDM4EGLAKMT2AMEN1TDP1
SCHEMBL28792146 0.83 GPR35 (0.38) KMT2AMEN1CYP3A4TSHRGPR35
SCHEMBL29684453 0.83 GPR35 (0.38) KMT2AMEN1CYP3A4TSHRGPR35
SCHEMBL29743810 0.79 GRM6 (0.42) KDM4EGLAKMT2AMEN1TDP1
SCHEMBL543319 0.79 GRM6 (0.42) KDM4EGLAKMT2AMEN1TDP1
SCHEMBL6240526 0.79 TDP1 (0.41) KDM4EGLAKMT2AMEN1TDP1
SCHEMBL30280942 0.79 TDP1 (0.41) KDM4EGLAKMT2AMEN1TDP1
SCHEMBL4422996 0.78 CYP1A2 (0.41) RXFP1TSHRGPR35
SCHEMBL6825576 0.78 CA12 (0.41) KDM4ECYP3A4MAPTPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642689-B 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2022-06-24 CN claimed
CN-110642689-A 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2020-01-03 CN claimed
CN-110642689-B 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2022-06-24 CN disclosed
CN-110642689-A 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2020-01-03 CN disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP disclosed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed
US-20020123484-A1 Benzothiazole protein trosine kinase inhibitors DAS JAGABNDHU (US) 2002-09-05 US disclosed
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
CN-1290165-A Benzothiazole Protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2001-04-04 CN disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 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 (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-20020123484-A1 Benzothiazole protein trosine kinase inhibitors TXK, LTK, JAK2 KDM4E 1679/4885GLA 4301/4885KMT2A 1788/4885

“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.