SCHEMBL2071576

SCHEMBL2071576

O=C(NC1CN(c2nc3ccccc3o2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.54
CHRM4 P08173 1/20 0.44
MAP4K4 O95819 4/20 0.44
USP30 Q70CQ3 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
GABRA5 P31644 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL2072754 0.91 HPGDS (0.61) HPGDSMAP4K4USP30LMNASMN1; SMN2
SCHEMBL2072119 0.90 HPGDS (0.47) HPGDSMAP4K4USP30HCRTR1HCRTR2
SCHEMBL2072116 0.90 HPGDS (0.47) HPGDSMAP4K4USP30HCRTR1HCRTR2
SCHEMBL2072120 0.90 HPGDS (0.47) HPGDSMAP4K4USP30HCRTR1HCRTR2
SCHEMBL2071663 0.83 HCRTR1 (0.56) HPGDSMAP4K4USP30HCRTR1HCRTR2
SCHEMBL14191078 0.81 HPGDS (0.67) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2071595 0.80 HPGDS (0.56) HPGDSGABRA5
SCHEMBL12776510 0.79 HPGDS (0.64) HPGDSMAP4K4USP30GABRA5
SCHEMBL1543340 0.78 HPGDS (0.74) HPGDSMAP4K4USP30GABRA5
SCHEMBL2070459 0.76 HPGDS (0.64) HPGDSMAP4K4USP30HCRTR1HCRTR2

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 984/4885CHRM4 955/4885MAP4K4 1602/4885

“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.