SCHEMBL4497603

SCHEMBL4497603

C1=NC=C2C1=Nc1c2ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 3/20 0.38
CYP2A6 P11509 3/20 0.38
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HPRT1 P00492 1/20 0.35
POLB P06746 1/20 0.34
STAT1 P42224 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HIF1A Q16665 2/20 0.33
DNMT1 P26358 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
KEAP1 Q14145 1/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL4493237 0.74 ALDH1A1 (0.37) ALDH1A1TDP1HSD17B10TSHRCYP2A6
SCHEMBL1173038 0.67 IDO1 (0.34) ALDH1A1TSHRMAPTLMNACYP1A2
SCHEMBL31738437 0.63 TDP1 (0.37) ALDH1A1TDP1HSD17B10TSHRCYP2A6
SCHEMBL14889397 0.63 HPRT1 (0.54) ALDH1A1TDP1HSD17B10TSHRCYP2A6
Phenanthrene SCHEMBL29358486 0.60 CYP2A6 (1.00) ALDH1A1TDP1HSD17B10TSHRCYP2A6
Phenanthrene SCHEMBL29477074 0.60 CYP2A6 (1.00) ALDH1A1TDP1HSD17B10TSHRCYP2A6
Phenanthrene SCHEMBL30932938 0.60 CYP2A6 (1.00) ALDH1A1TDP1HSD17B10TSHRCYP2A6
Phenanthrene SCHEMBL8873977 0.60 CYP2A6 (1.00) ALDH1A1TDP1HSD17B10TSHRCYP2A6
Phenanthrene SCHEMBL7643 0.60 CYP2A6 (1.00) ALDH1A1TDP1HSD17B10TSHRCYP2A6
Phenanthrene SCHEMBL1330750 0.60 CYP2A6 (1.00) ALDH1A1TDP1HSD17B10TSHRCYP2A6

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
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 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 ALDH1A1 346/4885TDP1 968/4885HSD17B10 826/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1143/4885TDP1 525/4885HSD17B10 3565/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALDH1A1 1185/4885TDP1 997/4885HSD17B10 3205/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885TDP1 666/4885HSD17B10 4390/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885TDP1 530/4885HSD17B10 3568/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885TDP1 1472/4885HSD17B10 1291/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885TDP1 666/4885HSD17B10 4390/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ALDH1A1 3567/4885TDP1 1836/4885HSD17B10 2922/4885

“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.