SCHEMBL6035189

SCHEMBL6035189

Cn1c(=O)n(C)c2cc(C(=O)CCCCNCCc3ccc(O)cc3Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
HTT P42858 3/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NR0B1 P51843 1/20 0.35

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 SCHEMBL4855242 0.99 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL4862455 0.88 POLB (0.51) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
Hydrochloric Acid SCHEMBL4860667 0.87 POLB (0.50) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL6034829 0.86 PGR (0.39) LMNATP53MAPT
SCHEMBL6034279 0.86 TP53 (0.38) LMNATP53MAPT
Hydrochloric Acid SCHEMBL4850372 0.85 TP53 (0.37) LMNATP53MAPT
Hydrochloric Acid SCHEMBL4861503 0.85 PGR (0.39) LMNATP53MAPT
SCHEMBL4862303 0.83 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL13988066 0.82 THRB (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL27611290 0.82 HSD17B3 (0.34) RAB9AHSD17B3

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 SMN1; SMN2 1472/4885ALDH1A1 118/4885KDM4E 3792/4885

“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.