SCHEMBL12844155

SCHEMBL12844155

CCCc1c(-c2ccccc2)noc1C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
GABRA5 P31644 12/20 0.55
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL256699 0.86 PTGS1 (0.59) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL27683398 0.85 GABRA5 (0.55) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL13828407 0.81 L3MBTL1 (0.54) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL107436 0.81 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL195699 0.81 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL286436 0.81 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL935024 0.81 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
Water SCHEMBL27477176 0.79 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL5018927 0.78 PTGS1 (0.54) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL18885135 0.78 GABRA5 (0.65) PTGS1PTGS2GABRA5ALDH1A1NPSR1

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 PTGS1 308/4885PTGS2 692/4885GABRA5 1998/4885

“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.