SCHEMBL4853822

SCHEMBL4853822

CN1C(=O)c2ccc(C(=O)Cl)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
TSHR P16473 2/20 0.52
RXFP1 Q9HBX9 1/20 0.49
ATM Q13315 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.47
APP P05067 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL10053398 0.85 ALDH1A1 (0.60) ALDH1A1TSHRRXFP1ATMHPGD
SCHEMBL27464004 0.83 POLB (0.47) ALDH1A1TSHRHPGDPOLBKMT2A
SCHEMBL3942594 0.83 ALDH1A1 (0.67) ALDH1A1TSHRHPGDPOLBKMT2A
SCHEMBL17897623 0.83 NR1H2 (0.59) ALDH1A1TSHRRXFP1ATMHPGD
SCHEMBL13417772 0.81 POLB (0.73) ALDH1A1TSHRHPGDPOLBKMT2A
SCHEMBL12710955 0.80 POLB (0.43) ALDH1A1TSHRHPGDPOLBKMT2A
SCHEMBL14544423 0.79 POLB (0.44) ALDH1A1TSHRHPGDPOLBKMT2A
SCHEMBL13485273 0.79 CASP3 (0.65) ALDH1A1TSHRRXFP1ATMHPGD
SCHEMBL1994560 0.79 CA9 (0.57) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL10098927 0.79 ALDH1A1 (0.61) ALDH1A1TSHRRXFP1ATMHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 WO disclosed
US-11066537-B2 Composition, film, infrared cut filter, solid image pickup element, infrared sensor, camera module, and novel compound FUJIFILM CORPORATION (JP) 2021-07-20 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-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 ALDH1A1 118/4885TSHR 4026/4885RXFP1 128/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885TSHR 4026/4885RXFP1 128/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885TSHR 4425/4885RXFP1 683/4885

“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.