SCHEMBL13313014

SCHEMBL13313014

Cc1ccc2c(c1)nc(CO)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ACSS2 Q9NR19 1/20 0.49
HDAC6 Q9UBN7 2/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 2/20 0.46
TNF P01375 1/20 0.46
TSHR P16473 1/20 0.46
RHEB Q15382 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR8 Q9NR97 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL23638515 0.86 RAB9A (0.49) KDM4EHSD17B10ACSS2NPC1RAB9A
SCHEMBL12082560 0.84 KDM4E (0.51) KDM4EHSD17B10ACSS2HDAC6NPC1
SCHEMBL4149016 0.83 KDM4E (0.50) KDM4EHSD17B10ACSS2HDAC6NPC1
SCHEMBL3988029 0.81 KMT2A (0.55) KDM4ENPC1RAB9AMAPTTSHR
SCHEMBL31569633 0.81 MAPT (0.49) KDM4EHSD17B10HDAC6NPC1RAB9A
SCHEMBL13149763 0.81 KDM4E (0.63) KDM4EHSD17B10ACSS2HDAC6NPC1
SCHEMBL11955229 0.80 KDM4E (0.48) KDM4EHSD17B10ACSS2HDAC6NPC1
SCHEMBL14736501 0.80 MAPT (0.50) KDM4EHSD17B10ACSS2HDAC6NPC1
SCHEMBL14736500 0.80 KDM4E (0.48) KDM4EHSD17B10ACSS2HDAC6NPC1
SCHEMBL22230672 0.79 ALDH1A1 (0.62) KDM4EHSD17B10ACSS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745447-B2 Substituted thieno[3,2-D]pyrimidines as non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 US disclosed
US-7745447-B2 Substituted thieno[3,2-D]pyrimidines as non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 US disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R KDM4E 2607/4885HSD17B10 696/4885ACSS2 3631/4885

“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.