SCHEMBL4859467

SCHEMBL4859467

Cn1c(=O)n(C)c2cc(C(=O)CCCCCl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ BRD4 O60885 2/20 0.55
▸ BRPF1 P55201 2/20 0.55
▸ GLA P06280 1/20 0.51
▸ HTT P42858 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ KDM2B Q8NHM5 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NR0B1 P51843 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL27593085 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL5981648 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4190022 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL11812982 0.82 KDM4E (0.48) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL4860594 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4889003 0.81 HPD (0.49) ALDH1A1KDM4EATMRAB9AMAPT
SCHEMBL4862180 0.79 MAOB (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4850384 0.79 MAOB (0.42) ALDH1A1HSD17B10KDM4EGLALMNA
SCHEMBL6034799 0.76 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4862455 0.76 POLB (0.51) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 — — US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 — — US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 — — US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 — — US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 — — US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 — — US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 — — EP 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 (3 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 118/4885HSD17B10 1927/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 SMN1; SMN2 1472/4885ALDH1A1 118/4885HSD17B10 1927/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE SMN1; SMN2 1418/4885ALDH1A1 212/4885HSD17B10 1291/4885

“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.

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