SCHEMBL3175489

SCHEMBL3175489

Cc1cc(=O)c(C(=O)c2ccccc2)c(C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MDM2 Q00987 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40

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
SCHEMBL13531552 0.86 ALDH1A1 (0.50) ALDH1A1TDP1KMT2ASMN1; SMN2RAB9A
SCHEMBL3192305 0.83 NPSR1 (0.46) ALDH1A1CYP1A2GAAMAPTMEN1
SCHEMBL3175739 0.81 RAB9A (0.39) ALDH1A1CYP1A2GAAMAPTATM
SCHEMBL10686284 0.80 NOTUM (0.45) ALDH1A1CYP1A2GAASMN1; SMN2HPGD
SCHEMBL10685631 0.78 MAPT (0.58) ALDH1A1GAAMAPTTDP1MEN1
SCHEMBL3186815 0.76 ADORA1 (0.47) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL3188766 0.76 CYP1A2 (0.45) ALDH1A1CYP1A2GAAMAPTSMN1; SMN2
SCHEMBL4783318 0.71 ALDH1A1 (0.46) ALDH1A1MAPTATMTDP1L3MBTL1
SCHEMBL4471265 0.70 RAB9A (0.51) ALDH1A1CYP1A2MAPTKMT2ASMN1; SMN2
SCHEMBL2355240 0.70 NR4A2 (0.63) ALDH1A1CYP1A2GAAMAPTMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed
US-5380730-A Angiotensin antagonist IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-10 US disclosed
WO-1994003453-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS ZENECA LIMITED (GB) 1994-02-17 WO disclosed
US-5236936-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499416-A2 Pyridine compounds as angiotensin II antagonists, processes for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-08-19 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 (1 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-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 ALDH1A1 892/4885CYP1A2 1301/4885GAA 4498/4885

“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.