SCHEMBL3649844

SCHEMBL3649844

COc1cccc(Cn2[nH]c(=O)c3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.51
PIK3CA P42336 2/20 0.51
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL3652866 0.88 PIK3R1 (0.50) PIK3R1PIK3CAMAPTMEN1KMT2A
SCHEMBL3646520 0.84 CNR1 (0.50) MAPTMEN1KMT2APLA2G2A
SCHEMBL3651474 0.82 MTNR1A (0.49) PIK3R1PIK3CAMAPTALDH1A1MEN1
SCHEMBL9917420 0.81 CMA1 (0.54) PIK3R1PIK3CAMAPTALDH1A1KMT2A
SCHEMBL3905791 0.78 IDO1 (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3904656 0.77 DAO (0.41) ALDH1A1MEN1KMT2APOLBDAO
SCHEMBL3913055 0.77 POLB (0.50) MEN1KMT2APOLB
SCHEMBL3650526 0.76 CYP1A2 (0.52) MAPTMEN1KMT2APOLBDAO
SCHEMBL3656241 0.76 F2RL3 (0.46) MAPTMEN1KMT2APOLBCTSV
SCHEMBL4194784 0.75 MAPT (0.51) PIK3R1PIK3CAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 EP disclosed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 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 (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-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT PIK3R1 843/4885PIK3CA 443/4885MAPT 3561/4885

“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.