SCHEMBL7042377

SCHEMBL7042377

COc1c(Br)cc(Cl)cc1NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
TPMT P51580 1/20 0.32
CA1 P00915 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL7042373 0.81 ALDH1A1 (0.44) CA2KDM4EGAAALDH1A1TSHR
SCHEMBL30930936 0.80 CA2 (0.52) CA2CA4TSHRAPOBEC3AHTT
SCHEMBL7046840 0.79 SCN4A (0.39) KDM4EGAAALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL15561625 0.76 GAA (0.34) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL7043542 0.75 CA2 (0.43) CA2CA4KDM4EGAAALDH1A1
SCHEMBL2415199 0.74 CA2 (0.46) CA2CA4KDM4EGAAALDH1A1
SCHEMBL11271329 0.72 ATM (0.45) CA2CA4KDM4EGAAALDH1A1
SCHEMBL22965739 0.72 GAA (0.37) CA2GAAMAPTCA1
SCHEMBL7040066 0.71 CYP3A4 (0.40) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL15561614 0.71 CA2 (0.43) CA2CA4TSHRAPOBEC3AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 CA2 788/4885CA4 3325/4885KDM4E 1943/4885

“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.