SCHEMBL4850384

SCHEMBL4850384

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HSD11B1 P28845 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ TAF1 P21675 1/20 0.38
▸ PDE2A O00408 2/20 0.38
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL8546016 0.91 LMNA (0.44) MAOBLMNAHSD11B1MAPTKDM4E
SCHEMBL4862180 0.90 MAOB (0.44) MAOBLMNAMAPTPDE2APDE3B
SCHEMBL21156819 0.80 LMNA (0.46) MAOBLMNAHSD11B1MAPTKDM4E
SCHEMBL4859467 0.79 SMN1; SMN2 (0.55) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL11812982 0.78 KDM4E (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6035337 0.77 TP53 (0.47) MAOBLMNAMAPTHTR3A
SCHEMBL27611288 0.76 HSD17B3 (0.45) MAOBLMNAKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4855374 0.76 TP53 (0.46) MAOBLMNAMAPTHTR3A
SCHEMBL29670373 0.76 ALDH1A1 (0.52) LMNAHSD11B1MAPTKDM4EALDH1A1
SCHEMBL21156821 0.76 LMNA (0.51) MAOBLMNAHSD11B1MAPTHTR3A

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 MAOB 248/4885LMNA 1921/4885HSD11B1 262/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAOB 248/4885LMNA 1921/4885HSD11B1 262/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAOB 108/4885LMNA 2218/4885HSD11B1 441/4885

“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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