SCHEMBL643746

SCHEMBL643746

NC(=O)C(Oc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.47
ALOX12 P18054 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
KLF5 Q13887 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL16756345 0.83 IDO1 (0.53) IDO1HSD17B10KMT2AALOX12ALDH1A1
SCHEMBL11584602 0.75 KMT2A (0.59) IDO1HSD17B10KMT2AALOX12ALDH1A1
SCHEMBL5174000 0.75 KMT2A (0.59) IDO1HSD17B10KMT2AALOX12ALDH1A1
SCHEMBL11586378 0.75 IDO1 (0.57) IDO1KMT2AALOX12ALDH1A1POLB
SCHEMBL29500253 0.75 IDO1 (0.57) IDO1KMT2AALOX12ALDH1A1POLB
SCHEMBL640541 0.74 CSNK1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL29701262 0.72 IDO1 (0.54) IDO1KMT2AALOX12ALDH1A1POLB
SCHEMBL5532731 0.72 NPC1 (0.54) IDO1HSD17B10KMT2AALDH1A1SMN1; SMN2
SCHEMBL8636918 0.71 IDO1 (0.53) IDO1KMT2AALOX12ALDH1A1POLB
SCHEMBL1258979 0.70 CHRM1 (0.51) KMT2AALDH1A1POLBCYP3A4CYP1A2

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-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 IDO1 2860/4885HSD17B10 2463/4885KMT2A 2515/4885

“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.