SCHEMBL7045442

SCHEMBL7045442

COc1ccccc1-n1ncn(-c2ccc(Br)s2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MGLL Q99685 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
UGCG Q16739 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL7043755 0.85 LMNA (0.41) SMN1; SMN2KMT2AMAPK1ALDH1A1NPC1
SCHEMBL1784121 0.66 MGLL (0.46) KMT2AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL30582271 0.62 ADORA3 (0.45) KMT2AALDH1A1NPSR1MGLLADORA3
SCHEMBL7656052 0.61 ADORA1 (0.54) KDM4EADRA1AADRA1BALDH1A1NPC1
SCHEMBL1901518 0.60 KCNN4 (0.46) KDM4EALDH1A1MAPTMGLLUGCG
SCHEMBL8112944 0.60 KCNN4 (0.60) KMT2AALDH1A1MAPTNPSR1MGLL
SCHEMBL11261062 0.59 HCAR1 (0.43) SMN1; SMN2KMT2AADRA1DADRA1AADRA1B
SCHEMBL15442145 0.59 KCNN4 (0.48) KMT2AKDM4EALDH1A1MAPTMGLL
SCHEMBL5906062 0.59 MGLL (0.47) POLBKMT2AKDM4EALDH1A1MAPT
SCHEMBL31361518 0.59 HCAR1 (0.49) KMT2AKDM4EALDH1A1NPC1RAB9A

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 SMN1; SMN2 766/4885POLB 3553/4885KMT2A 981/4885

“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.