SCHEMBL3608431

SCHEMBL3608431

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.56
MELK Q14680 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
SCD5 Q86SK9 2/20 0.49
POLB P06746 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.47
SCD O00767 1/20 0.46
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46

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
SCHEMBL3602522 0.91 SMN1; SMN2 (0.60) NAMPTSMN1; SMN2MAPTLMNAHTT
SCHEMBL3611274 0.91 NAMPT (0.56) NAMPTSCD5SCD
SCHEMBL3606398 0.91 SMN1; SMN2 (0.52) NAMPTSMN1; SMN2MAPTALDH1A1HTT
SCHEMBL13504884 0.90 NAMPT (0.60) NAMPTALDH1A1SCD5SCD
SCHEMBL3605849 0.90 NAMPT (0.49) NAMPTMELKSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL3612494 0.90 NAMPT (0.59) NAMPTALDH1A1SCD5SCD
SCHEMBL3613929 0.89 SMN1; SMN2 (0.59) NAMPTSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3610936 0.89 MELK (0.60) NAMPTMELKSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL3596683 0.88 SMN1; SMN2 (0.58) NAMPTSMN1; SMN2MAPTLMNAHTT
SCHEMBL13504909 0.88 SMN1; SMN2 (0.52) NAMPTSMN1; SMN2MAPTLMNAALDH1A1

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 NAMPT 869/4885MELK 3095/4885SMN1; SMN2 618/4885

“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.