SCHEMBL4860594

SCHEMBL4860594

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ BRD4 O60885 1/20 0.59
▸ BRPF1 P55201 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ HTT P42858 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ USP5 P45974 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL4198005 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL27593085 0.83 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL5981648 0.82 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL4190022 0.81 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL4859467 0.81 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL1422842 0.80 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL9684618 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL9483526 0.77 ACHE (0.63) CYP1A2KMT2A
SCHEMBL1119999 0.76 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4
SCHEMBL23846427 0.75 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2HSD17B10KDM4EBRD4

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 10 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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 — — CN 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 ALDH1A1 118/4885SMN1; SMN2 1472/4885HSD17B10 1927/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885SMN1; SMN2 1472/4885HSD17B10 1927/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885SMN1; SMN2 1418/4885HSD17B10 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.

Send feedback