SCHEMBL6035337

SCHEMBL6035337

Cn1c(=O)[nH]c2cc(C(=O)CCCCNCCc3ccccc3Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
EPHX2 P34913 2/20 0.43
PPARG P37231 2/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ABCB11 O95342 1/20 0.41
P2RX7 Q99572 1/20 0.41
POLB P06746 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
HTR3A P46098 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
MAOB P27338 1/20 0.38
CACNA1G O43497 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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 SCHEMBL4855374 0.99 TP53 (0.46) TP53EPHX2PPARGMAPTSMN1; SMN2
SCHEMBL6035441 0.93 TP53 (0.44) TP53EPHX2PPARGMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4861258 0.92 TP53 (0.44) TP53EPHX2PPARGMAPTSMN1; SMN2
SCHEMBL6034279 0.89 TP53 (0.38) TP53EPHX2PPARGMAPTHTR3A
Hydrochloric Acid SCHEMBL4850372 0.88 TP53 (0.37) TP53EPHX2PPARGMAPTHTR3A
SCHEMBL4862455 0.85 POLB (0.51) TP53MAPTSMN1; SMN2POLBHIF1A
Hydrochloric Acid SCHEMBL4860667 0.84 POLB (0.50) TP53MAPTSMN1; SMN2POLBHIF1A
SCHEMBL4860295 0.83 EPHX2 (0.41) TP53EPHX2PPARGMAPTSMN1; SMN2
SCHEMBL6036029 0.82 GPR84 (0.45) TP53MAPTP2RX7HIF1ALMNA
SCHEMBL6034829 0.81 PGR (0.39) TP53MAPTLMNAMAOB

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 4560/4885EPHX2 1836/4885PPARG 2344/4885

“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.