SCHEMBL2993359

SCHEMBL2993359

O=C(N[C@@H]1CC[C@H](C(=O)N2CCNCC2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.60
MAP4K4 O95819 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
USP30 Q70CQ3 1/20 0.44
GABRA5 P31644 2/20 0.43
GRM5 P41594 2/20 0.42
MLNR O43193 2/20 0.42
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL1542990 1.00 HPGDS (0.60) HPGDSMAP4K4HDAC3HDAC1HDAC2
SCHEMBL3083488 0.95 HPGDS (0.58) HPGDSMAP4K4HDAC3HDAC1HDAC2
SCHEMBL3083489 0.95 HPGDS (0.58) HPGDSMAP4K4HDAC3HDAC1HDAC2
SCHEMBL2995041 0.95 HPGDS (0.58) HPGDSMAP4K4HDAC3HDAC1HDAC2
SCHEMBL2995038 0.95 HPGDS (0.58) HPGDSMAP4K4HDAC3HDAC1HDAC2
SCHEMBL13572491 0.95 HPGDS (0.58) HPGDSMAP4K4HDAC3HDAC1HDAC2
SCHEMBL13240656 0.89 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5GRM5
SCHEMBL1543580 0.89 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5GRM5
SCHEMBL1543498 0.89 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5GRM5
SCHEMBL2993412 0.89 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5GRM5

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 1073/4885MAP4K4 2268/4885HDAC3 119/4885

“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.