SCHEMBL3170295

SCHEMBL3170295

Cc1cc(Cl)c(C(=O)c2cccs2)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
ADORA1 P30542 2/20 0.46
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA2A P29274 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGDS O60760 1/20 0.41
LCK P06239 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 2/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3179472 0.84 ADORA1 (0.43) ALDH1A1MAPTADORA1PSMD14MMP2
SCHEMBL3183945 0.77 HTT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3169957 0.74 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL3179849 0.74 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL4715159 0.73 HDAC6 (0.35) ALDH1A1MAPTADORA1PSMD14MMP2
SCHEMBL18186485 0.72 CNR2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL6652987 0.71 KMT2A (0.45) ALDH1A1MAPTALOX15HSD17B10NPC1
SCHEMBL900419 0.71 ALDH1A1 (0.58) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL6223551 0.71 ADORA2A (0.48) ALDH1A1MAPTADORA1PSMD14MMP2
SCHEMBL11913211 0.70 ADORA1 (0.57) ALDH1A1MAPTADORA1PSMD14MMP2

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 6 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

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 892/4885MAPT 4148/4885ADORA1 9/4885

“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.