SCHEMBL4858044

SCHEMBL4858044

Cn1c(=O)n(C)c2cc(C(=O)CCCCNCCc3ccccc3OC(F)(F)F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BRPF1 P55201 2/20 0.37
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IDH1 O75874 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HSD17B13 Q7Z5P4 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35

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 SCHEMBL4862356 0.99 THRB (0.43) THRBSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL6034764 0.89 MAPT (0.48) THRBSMN1; SMN2ALDH1A1GLAMAPT
Hydrochloric Acid SCHEMBL4850422 0.88 MAPT (0.48) THRBSMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL6035059 0.85 MAPT (0.46) THRBSMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL4858446 0.84 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1GLAGAAHTT
Hydrochloric Acid SCHEMBL4860592 0.84 MAPT (0.46) SMN1; SMN2MAPTBRPF1BRD4POLB
SCHEMBL13988066 0.83 THRB (0.47) THRBSMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL13988052 0.83 ALDH1A1 (0.50) THRBSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL4862455 0.82 POLB (0.51) THRBSMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL4861025 0.82 DRD2 (0.36) SMN1; SMN2ALDH1A1GLAGAAHTT

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-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 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
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 THRB 1908/4885SMN1; SMN2 1472/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 THRB 1908/4885SMN1; SMN2 1472/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE THRB 3542/4885SMN1; SMN2 1418/4885ALDH1A1 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.