SCHEMBL3209244

SCHEMBL3209244

NC(=O)c1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
TDP1 Q9NUW8 1/20 0.56
NAMPT P43490 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 3/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FASN P49327 1/20 0.47

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
SCHEMBL3216409 0.95 MAPT (0.63) KMT2AALDH1A1MEN1MAPTTDP1
Hydrochloric Acid SCHEMBL3205114 0.93 MAPT (0.61) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL3637388 0.89 TDP1 (0.69) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL3209251 0.86 KMT2A (0.59) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL3213765 0.83 HRH3 (0.55) KMT2AALDH1A1MEN1MAPTHCRTR1
SCHEMBL28581975 0.82 KMT2A (0.72) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL3216413 0.81 TDP1 (0.66) KMT2AALDH1A1MEN1MAPTTDP1
Hydrochloric Acid SCHEMBL3205122 0.80 TDP1 (0.64) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL22814979 0.79 ALDH1A1 (0.68) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL22814982 0.79 ALDH1A1 (0.68) KMT2AALDH1A1MEN1MAPTTDP1

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
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 WO disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 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-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KMT2A 1667/4885ALDH1A1 535/4885MEN1 2767/4885

“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.