SCHEMBL2073348

SCHEMBL2073348

Cc1cc(C)c(C#N)c(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.60
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 4/20 0.48
USP30 Q70CQ3 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE10A Q9Y233 1/20 0.44
MAP4K4 O95819 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GABRA5 P31644 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
SCHEMBL2073527 0.92 HPGDS (0.53) HPGDSKDM4EALDH1A1USP30TDP1
SCHEMBL2071109 0.89 HPGDS (0.59) HPGDSUSP30PDE10AMAP4K4ADORA3
SCHEMBL2073437 0.86 HPGDS (0.46) HPGDSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2073441 0.86 HPGDS (0.46) HPGDSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2073445 0.86 HPGDS (0.46) HPGDSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2072753 0.86 HPGDS (0.64) HPGDSUSP30MEN1KMT2APDE10A
SCHEMBL2071296 0.84 HPGDS (0.57) HPGDSKDM4EALDH1A1USP30PDE10A
SCHEMBL2073332 0.83 HPGDS (0.59) HPGDSALDH1A1USP30MEN1KMT2A
SCHEMBL2071446 0.83 HPGDS (0.63) HPGDSUSP30PDE10AMAP4K4ADORA3
SCHEMBL1364700 0.83 KDM4E (0.42) HPGDSKDM4EALDH1A1HSD17B10HPGD

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 HPGDS 984/4885KDM4E 3026/4885ALDH1A1 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.