SCHEMBL6035441

SCHEMBL6035441

Cn1c(=O)[nH]c2ccc(C(=O)CCCCNCCc3ccccc3Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PGR P06401 1/20 0.43
ABCB11 O95342 1/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.39
MAOB P27338 2/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTR3A P46098 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 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
Hydrochloric Acid SCHEMBL4861258 0.99 TP53 (0.44) TP53MAPTPGRABCB11P2RX7
SCHEMBL6035337 0.93 TP53 (0.47) TP53MAPTABCB11P2RX7SMN1; SMN2
Hydrochloric Acid SCHEMBL4855374 0.92 TP53 (0.46) TP53MAPTABCB11P2RX7SMN1; SMN2
SCHEMBL6034829 0.89 PGR (0.39) TP53MAPTPGRMAOBLMNA
Hydrochloric Acid SCHEMBL4861503 0.88 PGR (0.39) TP53MAPTPGRMAOBLMNA
SCHEMBL4862455 0.85 POLB (0.51) TP53MAPTSMN1; SMN2HIF1ALMNA
Hydrochloric Acid SCHEMBL4860667 0.84 POLB (0.50) TP53MAPTSMN1; SMN2HIF1ALMNA
SCHEMBL6036029 0.82 GPR84 (0.45) TP53MAPTP2RX7CNR1HIF1A
SCHEMBL6034279 0.81 TP53 (0.38) TP53MAPTPGRMAOBLMNA
Hydrochloric Acid SCHEMBL4854024 0.81 GPR84 (0.44) TP53MAPTP2RX7CNR1HIF1A

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-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US claimed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US claimed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TP53 4560/4885MAPT 1965/4885PGR 4161/4885

“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.