SCHEMBL4889528

SCHEMBL4889528

CN1c2ccc(C(=O)CCCCCl)cc2N(C)S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.36
NPC1 O15118 3/20 0.35
TSHR P16473 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4889533 0.89 HSD17B3 (0.36) HSD17B3NPC1TSHRHRH2HRH1
SCHEMBL4889668 0.82 MCHR1 (0.36) TSHRHRH2HRH1MAPTRAB9A
SCHEMBL28753567 0.80 HSD17B3 (0.37) HSD17B3NPC1HRH2HRH1MAPT
SCHEMBL4858109 0.75 ACHE (0.38) TSHRHRH2HRH1MAPTRAB9A
SCHEMBL6036074 0.75 TAAR1 (0.37) TSHRHRH1TDP1ACHEKMT2A
SCHEMBL4889684 0.75 MCHR1 (0.39) TSHRL3MBTL1ACHE
Hydrochloric Acid SCHEMBL4880698 0.74 TAAR1 (0.36) HRH1MAPTTDP1ACHEMEN1
SCHEMBL13988054 0.74 MAPT (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4887171 0.73 TAAR1 (0.33) ACHE
SCHEMBL13988048 0.73 KMT2A (0.37) TSHRMAPTALDH1A1L3MBTL1ACHE

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 HSD17B3 647/4885NPC1 1160/4885TSHR 4026/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HSD17B3 647/4885NPC1 1160/4885TSHR 4026/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HSD17B3 625/4885NPC1 2458/4885TSHR 4425/4885

“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.