SCHEMBL3608825

SCHEMBL3608825

O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.53
NAMPT P43490 3/20 0.48
SCD O00767 8/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA2 Q15349 2/20 0.43
ASIC3 Q9UHC3 1/20 0.43
RPS6KA3 P51812 1/20 0.43
AURKA O14965 1/20 0.43
ITK Q08881 1/20 0.43

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
SCHEMBL3605849 0.91 NAMPT (0.49) SCD5NAMPTMEN1CYP1A2CYP2D6
SCHEMBL3593878 0.90 SCD5 (0.47) SCD5ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL3611274 0.90 NAMPT (0.56) SCD5NAMPTSCD
SCHEMBL13504884 0.88 NAMPT (0.60) SCD5NAMPTSCDALDH1A1RPS6KA2
SCHEMBL3611305 0.87 NAMPT (0.63) SCD5NAMPTSCDALDH1A1MEN1
SCHEMBL3608690 0.87 TAS2R8 (0.52) SCD5NAMPTSCDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3612494 0.87 NAMPT (0.59) SCD5NAMPTSCDALDH1A1RPS6KA2
SCHEMBL3602956 0.86 ALDH1A1 (0.43) ALDH1A1MEN1CYP1A2CYP2D6MAPT
SCHEMBL13504905 0.85 ITK (0.59) NAMPTSCDALDH1A1CYP2C19ROCK2
Hydrochloric Acid SCHEMBL3601453 0.85 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2CYP2D6MAPT

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 SCD5 4/4885NAMPT 869/4885SCD 2/4885

“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.