SCHEMBL4494030

SCHEMBL4494030

c1ccc2c(c1)NSCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
OXTR P30559 1/20 0.34
GAA P10253 5/20 0.33
KEAP1 Q14145 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL3550522 0.79 ALOX5 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL12795590 0.69 ITGB2 (0.65) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL871099 0.68 GAA (0.55) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8942627 0.68 GAA (0.55) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL88894 0.68 GAA (0.55) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL56313 0.68 GAA (0.55) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL10582071 0.68 ITGB2 (0.56) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27872 0.67
SCHEMBL335978 0.67
Hydrochloric Acid SCHEMBL27373511 0.67 GAA (0.53) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 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-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 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 (8 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT ITGB2 4298/4885ICAM1 2510/4885ITGAL 3656/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ITGB2 4792/4885ICAM1 3627/4885ITGAL 4485/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ITGB2 4804/4885ICAM1 3096/4885ITGAL 4526/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ITGB2 3805/4885ICAM1 1431/4885ITGAL 2987/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ITGB2 4826/4885ICAM1 3609/4885ITGAL 4634/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ITGB2 4549/4885ICAM1 1946/4885ITGAL 4046/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ITGB2 3805/4885ICAM1 1431/4885ITGAL 2987/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ITGB2 3808/4885ICAM1 1955/4885ITGAL 4299/4885

“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.