SCHEMBL2813625

SCHEMBL2813625

NC(=O)c1nc(Cc2ccc(C(=O)NCc3ccccn3)cc2)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
RAB9A P51151 3/20 0.43
NAMPT P43490 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SORT1 Q99523 1/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
CA2 P00918 1/20 0.41
HTT P42858 1/20 0.41
SCD O00767 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL17957267 0.93 KMT2A (0.47) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL2811829 0.88 NAMPT (0.48) LMNASMN1; SMN2RAB9ANAMPTNPC1
SCHEMBL17957268 0.87 KMT2A (0.44) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL2815908 0.85 EPHX2 (0.44) NAMPTCA2
SCHEMBL2812315 0.84 NR3C1 (0.40) LMNAALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL2812870 0.84 EPHX2 (0.43)
SCHEMBL2814189 0.83 PRKAB2 (0.50) ALDH1A1
SCHEMBL2817947 0.83 HIF1A (0.48) LMNARAB9ANAMPTNPC1TRPV1
SCHEMBL2816965 0.83 EPHX2 (0.53) NAMPTCA2
SCHEMBL2819274 0.82 EPHX2 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2PKM

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
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 KMT2A 1034/4885LMNA 1006/4885MEN1 171/4885

“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.