SCHEMBL630848

SCHEMBL630848

O=C(O)c1cc(OCc2ccccc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.63
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
FOLH1 Q04609 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
PTGER4 P35408 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
SRD5A2 P31213 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G4A P47712 1/20 0.42
EDNRA P25101 1/20 0.42

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
SCHEMBL22777760 0.91 SMPD1 (0.76) SMPD1PTGER4
SCHEMBL10521252 0.88 SMPD1 (0.60) SMPD1MEN1KMT2APTGESALOX5
SCHEMBL10519525 0.88 SMPD1 (0.60) SMPD1MEN1KMT2ANR4A2NR4A1
SCHEMBL10157720 0.86 SMPD1 (0.59) SMPD1MEN1KMT2ANR4A2NR4A1
SCHEMBL12909761 0.85 SMPD1 (0.57) SMPD1MEN1KMT2ANR4A2NR4A1
SCHEMBL10524070 0.85 SMPD1 (0.57) SMPD1MEN1KMT2ANR4A2NR4A1
SCHEMBL630644 0.85 SMPD1 (0.61) SMPD1MEN1KMT2APTGESALOX5
SCHEMBL15004563 0.84 SMPD1 (0.67) SMPD1MEN1KMT2APTGESALOX5
SCHEMBL12568619 0.84 SMPD1 (0.56) SMPD1MEN1KMT2ANR4A2NR4A1
SCHEMBL15294499 0.84 RAB9A (0.55) SMPD1KDM5AKDM4CKDM5BPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051320-A1 TETRAHYDROPYRAZOLO-PYRAZINYL-DIHYDROIMIDAZOLONE OR TETRAHYDROPYRAZOLO-PYRIDINYL-DIHYDROIMIDAZOLONE COMPOUNDS AND METHODS OF USING SAME ECCOGENE INC. 2023-02-16 US disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105246890-A Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-01-13 CN disclosed
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8952176-B2 Heterocyclic compound having type I 11 β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-02-10 US disclosed
US-8952176-B2 Heterocyclic compound having type I 11 β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-02-10 US disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
CN-102015726-A Heterocyclic derivatives C & C RES LAB 2011-04-13 CN disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 WO disclosed
US-20100197662-A1 HETEROCYCLIC COMPOUND HAVING TYPE I 11 BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-08-05 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US 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 (6 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 SMPD1 1633/4885MEN1 3929/4885KMT2A 802/4885
US-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH SMPD1 1826/4885MEN1 1967/4885KMT2A 4158/4885
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 SMPD1 3846/4885MEN1 2578/4885KMT2A 472/4885
US-20230051320-A1 TETRAHYDROPYRAZOLO-PYRAZINYL-DIHYDROIMIDAZOLONE OR TETRAHYDROPYRAZOLO-PYRIDINYL-DIHYDROIMIDAZOLONE COMPOUNDS AND METHODS OF USING SAME GLP1R, SLC5A1, GIPR SMPD1 1540/4885MEN1 667/4885KMT2A 4586/4885
US-20100197662-A1 HETEROCYCLIC COMPOUND HAVING TYPE I 11 BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD11B1, HSD3B1, HSD11B2 SMPD1 543/4885MEN1 2617/4885KMT2A 2330/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 SMPD1 1746/4885MEN1 3816/4885KMT2A 3092/4885

“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.