SCHEMBL7041679

SCHEMBL7041679

CC=Cc1cc(Cl)cc(-n2nc(-c3ccc(Br)s3)[nH]c2=O)c1O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL7041677 1.00 F10 (0.31) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7043464 0.85 CNR1 (0.34) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7042344 0.84 AMY1A (0.36) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7042374 0.84 CNR1 (0.35) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7044883 0.80 KDM4E (0.30) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL7045380 0.79 SNCA (0.36) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7045437 0.76 CNR1 (0.34) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7039920 0.76 F10 (0.31) F10CNR1CNR2KDM4EALDH1A1
SCHEMBL7039146 0.75 CNR1 (0.32) F10CNR1CNR2
SCHEMBL7043479 0.74 CNR1 (0.34) F10CNR1CNR2

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 4 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 claimed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US claimed
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 F10 4194/4885CNR1 416/4885CNR2 258/4885

“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.