SCHEMBL4857352

SCHEMBL4857352

COc1ccc(C(=O)CCCCCN(CCc2ccccc2Cl)C(=O)O)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ACLY P53396 7/20 0.40
HDAC8 Q9BY41 3/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
LTB4R Q15722 2/20 0.38
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL4860212 0.99 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4862142 0.92 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4855322 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4860935 0.90 MAPT (0.39) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4859166 0.89 MAPT (0.39) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4858869 0.89 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4855165 0.88 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL13987500 0.85 SLC2A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4850361 0.84 SLC2A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL13987497 0.84 SLC2A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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 7 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-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 MEN1 2484/4885KMT2A 2316/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MEN1 2484/4885KMT2A 2316/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MEN1 3753/4885KMT2A 1894/4885ALDH1A1 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.