SCHEMBL12844299

SCHEMBL12844299

CCCc1cnc(-c2ccccc2C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ GAA P10253 5/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 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
SCHEMBL3160321 0.80 ALDH1A1 (0.46) ALDH1A1MEN1PKMKMT2AOPRM1
SCHEMBL3159719 0.80 ALDH1A1 (0.41) ALDH1A1MEN1PKMKMT2AOPRM1
SCHEMBL8052200 0.79 RAB9A (0.43) ALDH1A1MEN1PKMKMT2AGAA
SCHEMBL26052512 0.79 SMN1; SMN2 (0.48) ALDH1A1PKMGAACYP1A2CYP2C19
SCHEMBL5508576 0.79 FFAR1 (0.53) —
SCHEMBL12776040 0.79 ALDH1A1 (0.40) ALDH1A1MEN1PKMKMT2AOPRM1
SCHEMBL12844624 0.78 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19MAPK1
SCHEMBL7911246 0.76 MEN1 (0.42) MEN1PKMKMT2AHSD17B10SMN1; SMN2
SCHEMBL13531392 0.75 GAA (0.46) ALDH1A1MEN1PKMKMT2AGAA
SCHEMBL9693422 0.74 NPC1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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 ALDH1A1 148/4885MEN1 2003/4885PKM 1775/4885

“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.

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