SCHEMBL7042344

SCHEMBL7042344

O=c1[nH]c(-c2ccc(Br)s2)nn1-c1cc(Cl)cc(Br)c1O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
ERN1 O75460 1/20 0.31
F10 P00742 2/20 0.31
SNCA P37840 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
SCHEMBL7042374 0.91 CNR1 (0.35) AMY1AKDM4EALDH1A1LMNAPOLB
SCHEMBL7043464 0.89 CNR1 (0.34) AMY1AKDM4EALDH1A1LMNAPOLB
SCHEMBL7045380 0.85 SNCA (0.36) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL7041679 0.84 F10 (0.31) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL7041677 0.84 F10 (0.31) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL7044883 0.84 KDM4E (0.30) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL7039920 0.84 F10 (0.31) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL3757455 0.82 AKT2 (0.34) CNR1CNR2F10SNCA
SCHEMBL7045437 0.79 CNR1 (0.34) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL7039146 0.78 CNR1 (0.32) CNR1CNR2F10

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 AMY1A 881/4885KDM4E 1943/4885ALDH1A1 1237/4885

“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.