SCHEMBL174246

SCHEMBL174246

COC(=O)C1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TP53 P04637 7/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
NOD2 Q9HC29 1/20 0.46
PAX8 Q06710 2/20 0.46
LMNA P02545 6/20 0.46
CYP2C9 P11712 1/20 0.45
HDAC4 P56524 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
NR2F2 P24468 1/20 0.45

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
SCHEMBL174036 0.84 CA12 (0.52) MAPTKMT2ACA12CA1CA2
SCHEMBL408805 0.84 CYP2C9 (0.56) MAPTKMT2ACA12CA1CA2
SCHEMBL406879 0.84 CYP2C9 (0.56) MAPTKMT2ACA12CA1CA2
SCHEMBL163647 0.79 KMT2A (0.54) MAPTKMT2ACA12CA1CA2
SCHEMBL174380 0.76 TP53 (0.52) MAPTKMT2ATP53NPC1RAB9A
SCHEMBL173898 0.76 MAPT (0.49) MAPTLMNA
SCHEMBL3543093 0.76 MAPT (0.63) MAPTKMT2APOLBALDH1A1
SCHEMBL3543089 0.76 MAPT (0.63) MAPTKMT2APOLBALDH1A1
SCHEMBL163130 0.75 SMO (0.58) MAPTKMT2ATP53NPC1RAB9A
SCHEMBL164651 0.75 KMT2A (0.50) MAPTKMT2ATP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 MAPT 137/4885KMT2A 2187/4885CA12 4307/4885

“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.