SCHEMBL13645665

SCHEMBL13645665

CC(=O)NC(C(=O)Nc1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 4/20 0.55
HSD17B10 Q99714 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
USP2 O75604 1/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL13645690 0.83 TSHR (0.63) SMN1; SMN2LMNAPOLBUSP2KMT2A
SCHEMBL21731603 0.83 SMN1; SMN2 (0.55) SMN1; SMN2LMNAGAAHPGDPOLB
SCHEMBL12310908 0.82 MAPT (0.56) SMN1; SMN2LMNAGAAHPGDPOLB
SCHEMBL9222065 0.82 HSD17B10 (0.59) SMN1; SMN2LMNAGAAHPGDPOLB
SCHEMBL6825807 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAGAAHPGDPOLB
Hydrochloric Acid SCHEMBL27138478 0.81 ALDH1A1 (0.54) SMN1; SMN2LMNAGAAHPGDPOLB
SCHEMBL12640496 0.81 ALDH1A1 (0.54) SMN1; SMN2LMNAGAAHPGDPOLB
Hydrochloric Acid SCHEMBL27138709 0.81 ALDH1A1 (0.54) SMN1; SMN2LMNAGAAHPGDPOLB
SCHEMBL7523647 0.79 KMT2A (0.61) MAPTKMT2AALDH1A1MEN1MME
SCHEMBL7523650 0.79 KMT2A (0.61) MAPTKMT2AALDH1A1MEN1MME

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-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 SMN1; SMN2 3178/4885LMNA 4876/4885GAA 1151/4885

“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.