SCHEMBL2072116

SCHEMBL2072116

O=C(NC1CN(c2nc3ccccc3o2)CC1O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.47
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
HDAC6 Q9UBN7 1/20 0.38
WNT3A P56704 3/20 0.38
EGFR P00533 1/20 0.37
USP30 Q70CQ3 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
MAP4K4 O95819 1/20 0.37
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL2072120 1.00 HPGDS (0.47) HPGDSHCRTR1HCRTR2HDAC6WNT3A
SCHEMBL2072119 1.00 HPGDS (0.47) HPGDSHCRTR1HCRTR2HDAC6WNT3A
SCHEMBL2071576 0.90 HPGDS (0.54) HPGDSHCRTR1HCRTR2HDAC6USP30
SCHEMBL2072754 0.85 HPGDS (0.61) HPGDSUSP30LMNASMN1; SMN2TSHR
SCHEMBL2070318 0.84 HCRTR1 (0.53) HPGDSHCRTR1HCRTR2WNT3AEGFR
SCHEMBL2070314 0.84 HCRTR1 (0.53) HPGDSHCRTR1HCRTR2WNT3AEGFR
SCHEMBL2070316 0.84 HCRTR1 (0.53) HPGDSHCRTR1HCRTR2WNT3AEGFR
SCHEMBL2071250 0.80 HPGDS (0.48) HPGDSHCRTR1HCRTR2HDAC6WNT3A
SCHEMBL2071253 0.80 HPGDS (0.48) HPGDSHCRTR1HCRTR2HDAC6WNT3A
SCHEMBL2071257 0.80 HPGDS (0.48) HPGDSHCRTR1HCRTR2HDAC6WNT3A

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 984/4885HCRTR1 2126/4885HCRTR2 2788/4885

“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.