SCHEMBL2494773

SCHEMBL2494773

Nc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.59
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR1A P08908 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52

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
SCHEMBL2527454 0.83 MAPT (0.59) DHFRALDH1A1MAPTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL7196123 0.83 ADRA2C (0.54) DHFRALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL5394596 0.82 MAPT (0.55) DHFRALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL5388649 0.82 DHFR (0.51) DHFRALDH1A1MAPTSMN1; SMN2SIGMAR1
SCHEMBL2514320 0.80 DRD2 (0.50) CYP3A4CYP2C19HTR2CMLYCDKDM4E
SCHEMBL28226906 0.80 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2TSHRCYP1A2
SCHEMBL29377667 0.78 KMT2A (0.57) DHFRALDH1A1MAPTSMN1; SMN2NFKB1
SCHEMBL2395006 0.78 KMT2A (0.57) DHFRALDH1A1MAPTSMN1; SMN2NFKB1
SCHEMBL2514801 0.78 MAPT (0.61) ALDH1A1MAPTSMN1; SMN2MAPK1NPSR1
SCHEMBL3242066 0.77 DRD2 (0.48) DHFRALDH1A1MAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO claimed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US claimed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
CN-102245024-A Inhibitors of diacylglycerol aclytransferase VIA PHARMACEUTICALS INC 2011-11-16 CN disclosed
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 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-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 DHFR 1044/4885ALDH1A1 1249/4885MAPT 3731/4885

“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.