SCHEMBL2070849

SCHEMBL2070849

O=C(NC1CCN(c2nnnn2-c2ccc3c(c2)CCC3)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.55
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MAP4K4 O95819 1/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2070308 0.89 HPGDS (0.60) HPGDSALDH1A1POLBLMNAMEN1
SCHEMBL2073193 0.88 HPGDS (0.57) HPGDSALDH1A1POLBLMNAMEN1
SCHEMBL2072897 0.85 HPGDS (0.56) HPGDSALDH1A1POLBLMNAMEN1
SCHEMBL2070154 0.84 HPGDS (0.58) HPGDSALDH1A1POLBLMNAMEN1
SCHEMBL2071136 0.83 HPGDS (0.54) HPGDSALDH1A1POLBLMNAMEN1
SCHEMBL2070062 0.83 HPGDS (0.63) HPGDSALDH1A1POLBGRM5USP30
SCHEMBL2071903 0.82 HPGDS (0.61) HPGDSALDH1A1POLBGRM5USP30
SCHEMBL2070049 0.81 HPGDS (0.53) HPGDSALDH1A1POLBLMNAMEN1
SCHEMBL5061048 0.80 HPGDS (0.61) HPGDSALDH1A1POLBGRM5USP30
SCHEMBL2071036 0.80 HPGDS (0.61) HPGDSALDH1A1POLBGRM5USP30

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 984/4885ALDH1A1 148/4885POLB 2232/4885

“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.