SCHEMBL15533702

SCHEMBL15533702

O=C(NCCCn1ccnc1)c1cnc(NCc2ccc(F)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC3 O15379 1/20 0.59
NCOR1 O75376 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.54

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
SCHEMBL15532090 0.81 NAMPT (0.76) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15530942 0.80 NAMPT (0.73) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15531840 0.79 NAMPT (0.78) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15531096 0.79 NAMPT (0.82) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL16227758 0.79 NAMPT (0.82) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15531842 0.79 NAMPT (0.73) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15531778 0.77 NAMPT (0.76) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15533349 0.77 NAMPT (0.74) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL16227562 0.77 NAMPT (0.64) NAMPTHDAC1HDAC3NCOR1HDAC4
SCHEMBL15533937 0.77 NAMPT (0.73) NAMPTHDAC1HDAC3NCOR1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193209-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-07-07 US disclosed
US-9334264-B2 NAMPT inhibitors ABBVIE INC. (US) 2016-05-10 US disclosed
EP-2850081-A1 THIAZOLECARBOXAMIDE DERIVATIVES FOR USE AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-25 EP disclosed
US-20140336167-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2014-11-13 US disclosed
WO-2013170118-A1 THIAZOLECARBOXAMIDE DERIVATIVES FOR USE AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 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 (2 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-20140336167-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885HDAC1 56/4885HDAC3 100/4885
US-20160193209-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885HDAC1 56/4885HDAC3 100/4885

“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.