SCHEMBL1543465

SCHEMBL1543465

O=C(NC1CCC(O)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.70
MAP4K4 O95819 3/20 0.55
GRM5 P41594 1/20 0.53
GABRA5 P31644 4/20 0.53
BMPR1B O00238 1/20 0.50
BMPR1A P36894 1/20 0.50
TGFBR1 P36897 1/20 0.50
ACVRL1 P37023 1/20 0.50
ACVR1 Q04771 1/20 0.50
ATR Q13535 1/20 0.48
USP30 Q70CQ3 1/20 0.48
FYN P06241 1/20 0.47

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
SCHEMBL1543463 1.00 HPGDS (0.70) HPGDSMAP4K4GRM5GABRA5BMPR1B
SCHEMBL1543340 0.96 HPGDS (0.74) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2991200 0.94 HPGDS (0.63) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL1543455 0.92 HPGDS (0.68) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL1543648 0.92 HPGDS (0.71) HPGDSMAP4K4GRM5GABRA5
SCHEMBL13572498 0.91 HPGDS (0.67) HPGDSMAP4K4GRM5GABRA5
SCHEMBL13240676 0.91 HPGDS (0.67) HPGDSMAP4K4GRM5GABRA5
SCHEMBL1543025 0.91 HPGDS (0.67) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL1543121 0.91 HPGDS (0.67) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL13572448 0.91 HPGDS (0.67) HPGDSMAP4K4GRM5GABRA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885MAP4K4 2268/4885GRM5 3155/4885

“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.