SCHEMBL4501496

SCHEMBL4501496

C1=NOc2cccc3cccc1c23

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TRPA1 O75762 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6680055 0.69 ALDH1A1 (0.41) TYMSMAPK1ATMKDM4EALDH1A1
SCHEMBL218834 0.68 TRPA1 (0.36) MAPK1ATMKDM4ECYP1A2TRPA1
SCHEMBL3422460 0.65 ALDH1A1 (0.38) TYMSMAPK1ATMKDM4EALDH1A1
SCHEMBL4049789 0.62 ALDH1A1 (0.39) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL2637178 0.62 GRK6 (0.45) KDM4EALDH1A1TSHRHSD17B10CYP1A1
SCHEMBL29473502 0.62 GRK6 (0.45) KDM4EALDH1A1TSHRHSD17B10CYP1A1
SCHEMBL27705122 0.61 MAPK1 (0.65) TYMSMAPK1ATMKDM4EALDH1A1
SCHEMBL18440765 0.60 ALDH1A1 (0.36) MAPK1ATMALDH1A1TSHRHSD17B10
SCHEMBL2771008 0.58 TSHR (0.41) TYMSMAPK1ATMKDM4EALDH1A1
SCHEMBL752653 0.58 GRK6 (0.37) MAPK1KDM4EALDH1A1TSHRHSD17B10

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 43 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-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 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-5527800-A A 4H-PYRROLO(3,2,1-IJ)QUINOLIN-8-YL DERIVATIVE ADMINISTERED FOR THERAPY OR PROPHYLAXIS OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 EP disclosed
EP-0377889-B1 Silver halide recording material AGFA GEVAERT AG (DE) 1994-05-18 EP disclosed
EP-0373339-B1 Silver halide recording material AGFA GEVAERT AG (DE) 1994-05-04 EP disclosed
US-5089381-A SILVER HALIDE RECORDING MATERIAL AGFA-GEVAERT AG (DE) 1992-02-18 US disclosed
EP-0377889-A1 Silver halide recording material Agfa-Gevaert AG (DE) 1990-07-18 EP disclosed
EP-0373339-A1 Silver halide recording material Agfa-Gevaert AG (DE) 1990-06-20 EP disclosed
US-4906557-A Photographic recording material and process for the production of photographic images AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
US-4820616-A STABILIZERS, ANTIFOGGING AGENTS AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0234392-A2 Photographic-recording material and process for making photographic images Agfa-Gevaert AG (DE) 1987-09-02 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 (5 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 TYMS 1647/4885MAPK1 3860/4885ATM 3255/4885
US-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 TYMS 1528/4885MAPK1 1269/4885ATM 4276/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TYMS 1011/4885MAPK1 2350/4885ATM 4289/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR TYMS 4356/4885MAPK1 2089/4885ATM 4118/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TYMS 853/4885MAPK1 2209/4885ATM 4375/4885

“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.