SCHEMBL1180740

SCHEMBL1180740

Nc1ccc(-c2nnc3c(C(=O)O)ccnn23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.36
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 6/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
THRB P10828 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL1180784 0.81 CYP1A2 (0.34) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL20190398 0.68 KDM4E (0.43) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL4409807 0.64 MYC (0.51) ALDH1A1POLB
SCHEMBL1664963 0.64 SMN1; SMN2 (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3399030 0.61 ALDH1A1 (0.52) ALPLKDM4EALDH1A1MAPTKMT2A
SCHEMBL29369564 0.61 BCAT2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3460410 0.61 BCAT2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4582858 0.61 HSD17B10 (0.58) ALPLKDM4EALDH1A1MAPTSMN1; SMN2
Pyromellitic Acid SCHEMBL11365869 0.60 KMT2A (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL28201890 0.60 TDP1 (0.53) ALPLKDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 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-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ALPL 2768/4885KDM4E 4232/4885ALDH1A1 832/4885

“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.