SCHEMBL5981648

SCHEMBL5981648

[CH2]CCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ BRD4 O60885 2/20 0.56
▸ BRPF1 P55201 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ GLA P06280 1/20 0.52
▸ HTT P42858 3/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NR0B1 P51843 1/20 0.41
▸ GAA P10253 1/20 0.40

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 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL4859467 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL4860594 0.82 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL4190022 0.78 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL6034799 0.75 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
Hydrochloric Acid SCHEMBL4860132 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL1119999 0.74 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL1422842 0.74 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL6035084 0.73 THRA (0.49) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1
SCHEMBL23846427 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HSD17B10BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 — — US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 — — 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-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 SMN1; SMN2 1472/4885ALDH1A1 118/4885HSD17B10 1927/4885

“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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