SCHEMBL4862455

SCHEMBL4862455

Cn1c(=O)n(C)c2cc(C(=O)CCCCNCCc3ccccc3Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
THRB P10828 1/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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 SCHEMBL4860667 0.99 POLB (0.50) POLBTHRBALDH1A1SMN1; SMN2GLA
SCHEMBL13988066 0.88 THRB (0.47) POLBTHRBALDH1A1SMN1; SMN2GLA
SCHEMBL13988052 0.88 ALDH1A1 (0.50) POLBTHRBALDH1A1SMN1; SMN2GLA
SCHEMBL6035189 0.88 SMN1; SMN2 (0.40) POLBTHRBALDH1A1SMN1; SMN2GLA
Hydrochloric Acid SCHEMBL4855242 0.87 SMN1; SMN2 (0.39) POLBTHRBALDH1A1SMN1; SMN2GLA
SCHEMBL6034764 0.86 MAPT (0.48) THRBALDH1A1SMN1; SMN2GLABRD4
SCHEMBL6035441 0.85 TP53 (0.44) SMN1; SMN2HIF1ALMNATP53MAPT
SCHEMBL6035337 0.85 TP53 (0.47) POLBSMN1; SMN2HIF1ALMNATP53
Hydrochloric Acid SCHEMBL4850422 0.85 MAPT (0.48) POLBTHRBALDH1A1SMN1; SMN2GLA
SCHEMBL6034799 0.85 ALDH1A1 (0.51) THRBALDH1A1SMN1; SMN2GLAKDM4E

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 13 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-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US claimed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US claimed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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
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
WO-2006070934-A1 CRYSTAL OF BICYCLIC FUSED HETEROCYCLIC DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 WO 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 POLB 1937/4885THRB 1908/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 POLB 1937/4885THRB 1908/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE POLB 1453/4885THRB 3542/4885ALDH1A1 212/4885

“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.