SCHEMBL5465792

SCHEMBL5465792

Cc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)c(C)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
HTR1D P28221 7/20 0.52
NR1H4 Q96RI1 1/20 0.51
MAPK14 Q16539 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTR1B P28222 6/20 0.49
HTR2A P28223 6/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
HTR2C P28335 2/20 0.49
SLC6A4 P31645 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7449364 0.92 PLK1 (0.52) PLK1HTR1DNR1H4MAPK14L3MBTL1
SCHEMBL7450212 0.92 MAPK14 (0.57) PLK1HTR1DNR1H4MAPK14L3MBTL1
SCHEMBL5123823 0.88 MAPK14 (0.57) PLK1HTR1DNR1H4MAPK14L3MBTL1
SCHEMBL7445617 0.88 PLK1 (0.51) PLK1HTR1DMAPK14L3MBTL1HTR1B
SCHEMBL6926831 0.88 PLK1 (0.51) PLK1HTR1DMAPK14L3MBTL1HTR1B
SCHEMBL25382773 0.86 SRD5A2 (0.51) PLK1NR1H4MAPK14L3MBTL1RARA
SCHEMBL27222321 0.86 PLK1 (0.50) PLK1NR1H4MAPK14L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL38666104 0.86 HTR1D (0.52) PLK1HTR1DMAPK14L3MBTL1HTR1B
SCHEMBL38665653 0.85 L3MBTL1 (0.65) PLK1HTR1DNR1H4MAPK14L3MBTL1
SCHEMBL7441070 0.85 PLK1 (0.49) PLK1HTR1DNR1H4MAPK14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614247-B2 Methods for preventing, attenuating or treating pulmonary hypertension using a serotonin transporter inhibitor, and pharmaceutical compositions for the treatment thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2013-12-24 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20060100270-A1 Methods for preventing, attenuating or treating pulmonary hypertension using a serotonin transporter inhibitor, and pharmaceutical compositions for the treatment thereof ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2006-05-11 US disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
WO-2004089348-A2 USE OF A SEROTONIN TRANSPORTER INHIBITOR FOR THE TREATMENT OF PULMONARY HYPERTENSION ASSISTANCE PUBLIQUE - HOPITAUX DE PARIS (FR) 2004-10-21 WO disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-08 US disclosed
EP-1368344-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO disclosed
WO-1995030675-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-11-16 WO disclosed
WO-1995017398-A1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT1D (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed
WO-1995017401-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed
WO-1995006637-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-09 WO disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 PLK1 126/4885HTR1D 1697/4885NR1H4 525/4885
US-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A PLK1 2939/4885HTR1D 2/4885NR1H4 1946/4885
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SIGMAR1, HTR6, OPRL1 PLK1 4471/4885HTR1D 44/4885NR1H4 161/4885

“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.