SCHEMBL3605849

SCHEMBL3605849

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PLA2G1B P04054 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
RPS6KA2 Q15349 2/20 0.45
RPS6KA3 P51812 2/20 0.45
HIF1A Q16665 4/20 0.45
EPAS1 Q99814 3/20 0.45
MELK Q14680 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 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
SCHEMBL3608825 0.91 SCD5 (0.53) NAMPTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3608431 0.90 NAMPT (0.56) NAMPTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13504912 0.89 MELK (0.49) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
SCHEMBL3602522 0.89 SMN1; SMN2 (0.60) NAMPTSMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3616292 0.89 SLC2A1 (0.50) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
SCHEMBL3606398 0.88 SMN1; SMN2 (0.52) NAMPTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13504884 0.88 NAMPT (0.60) NAMPTRPS6KA2RPS6KA3SCD5
Hydrochloric Acid SCHEMBL3612494 0.87 NAMPT (0.59) NAMPTRPS6KA2RPS6KA3SCD5
SCHEMBL3613929 0.86 SMN1; SMN2 (0.59) NAMPTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13504909 0.86 SMN1; SMN2 (0.52) NAMPTSMN1; SMN2MAPTMEN1KMT2A

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 869/4885SMN1; SMN2 618/4885MAPT 3377/4885

“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.