SCHEMBL12844277

SCHEMBL12844277

CCc1ccc(C(=O)c2ccccn2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ HSD17B14 Q9BPX1 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PAX8 Q06710 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL27981651 0.82 HCAR3 (0.42) KMT2AALDH1A1LMNAP4HTMMAPT
SCHEMBL14319660 0.81 ALDH1A1 (0.49) KMT2AALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL12844484 0.80 KMT2A (0.61) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL19514550 0.76 KMT2A (0.61) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL12775476 0.76 KMT2A (0.56) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL1884484 0.76 KMT2A (0.56) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL12141971 0.76 KMT2A (0.56) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL4121736 0.75 NAPRT (0.41) KMT2AALDH1A1LMNANAPRTP4HTM
SCHEMBL14023317 0.75 KCNJ1 (0.45) KMT2ALMNAL3MBTL1MAPTHPGD
Alcohol SCHEMBL9405122 0.75 KMT2A (0.62) KMT2AHSD17B14ALDH1A1CES2CES1

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK KMT2A 2987/4885HSD17B14 166/4885ALDH1A1 148/4885

“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.

Send feedback