SCHEMBL4852037

SCHEMBL4852037

O=C(CCCCN(CCc1ccccc1Cl)C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 1/20 0.52
EP300 Q09472 1/20 0.52
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
MEN1 O00255 2/20 0.50
ADAM17 P78536 1/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50

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
SCHEMBL4852361 0.99 HAT1 (0.51) HAT1EP300MAPTKMT2APOLB
SCHEMBL4858828 0.86 MEN1 (0.45) HAT1EP300MAPTKMT2APOLB
SCHEMBL4854961 0.86 ADAM17 (0.55) MAPTKMT2APOLBGABRA1GABRB2
SCHEMBL4855006 0.86 MEN1 (0.45) HAT1EP300MAPTKMT2APOLB
SCHEMBL4856813 0.85 CTNNB1 (0.58) HAT1EP300MAPTKMT2AGABRA1
SCHEMBL4861714 0.85 ADAM17 (0.54) MAPTKMT2APOLBGABRA1GABRB2
SCHEMBL4850312 0.84 CTNNB1 (0.57) HAT1EP300MAPTKMT2AMEN1
SCHEMBL13987504 0.81 HAT1 (0.58) HAT1EP300MAPTKMT2APOLB
SCHEMBL27593077 0.80 CTNNB1 (0.57) HAT1EP300MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4857025 0.80 HAT1 (0.57) HAT1EP300MAPTKMT2APOLB

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 HAT1 1238/4885EP300 2705/4885MAPT 1965/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HAT1 1238/4885EP300 2705/4885MAPT 1965/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HAT1 868/4885EP300 2332/4885MAPT 1584/4885

“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.