SCHEMBL6328159

SCHEMBL6328159

CCc1nc(-c2ccc(C#N)cc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
AGER Q15109 1/20 0.38
EP300 Q09472 3/20 0.37
EGLN2 Q96KS0 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6177232 0.91 TAAR1 (0.48) RAB9ANPC1TAAR1GAAMAPT
SCHEMBL6339222 0.89 RAB9A (0.44) RAB9ANPC1TAAR1GAAMAPT
SCHEMBL6331660 0.86 POLB (0.40) MGLLABCB1HPGDABCG2MAPT
SCHEMBL6337169 0.82 NPC1 (0.45) RAB9ANPC1TAAR1GAAMAPT
SCHEMBL6175106 0.81 PTGER4 (0.47)
SCHEMBL6327138 0.79 TAAR1 (0.42) RAB9ANPC1TAAR1GAAMAPT
SCHEMBL6176352 0.79 ALDH1A1 (0.44) RAB9ANPC1GAAMAPTPOLB
SCHEMBL6176742 0.79 TAAR1 (0.47) MGLLRAB9ANPC1TAAR1GAA
SCHEMBL6177377 0.78 CA12 (0.49)
SCHEMBL6174713 0.76 CA2 (0.48) MAPTAGEREGLN2LMNATHRB

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-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES MGLL 1273/4885ABCB1 962/4885HPGD 9/4885

“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.