SCHEMBL2989062

SCHEMBL2989062

O=C(NC1CCCC(C(=O)N2CCOCC2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.58
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
TGFBR1 P36897 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
GRM5 P41594 5/20 0.47
WNT3A P56704 3/20 0.47
GABRA5 P31644 2/20 0.45
MAP4K4 O95819 1/20 0.44

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
SCHEMBL3093721 1.00 HPGDS (0.58) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2989061 1.00 HPGDS (0.58) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3093710 1.00 HPGDS (0.58) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1543498 0.95 HPGDS (0.60) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1543580 0.95 HPGDS (0.60) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2994363 0.93 HPGDS (0.61) HPGDSGRM5MAP4K4
SCHEMBL3070553 0.93 HPGDS (0.61) HPGDSGRM5MAP4K4
SCHEMBL2994365 0.93 HPGDS (0.61) HPGDSGRM5MAP4K4
SCHEMBL3070554 0.93 HPGDS (0.61) HPGDSGRM5MAP4K4
SCHEMBL13240692 0.91 HPGDS (0.58) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885BMPR1B 3784/4885BMPR1A 4323/4885

“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.