SCHEMBL3324075

SCHEMBL3324075

CNCCCOc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CACNA1B Q00975 1/20 0.43
SLC6A4 P31645 6/20 0.40
HRH1 P35367 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HTR2A P28223 3/20 0.39
KCNH2 Q12809 3/20 0.39
HTR1B P28222 1/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 2/20 0.39
NOS2 P35228 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL18608433 0.84 L3MBTL1 (0.38) SLC6A4KDM4EHTR2AKCNH2ALDH1A1
SCHEMBL18608786 0.82 KDM4E (0.45) TDP1SLC6A4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3322617 0.81 TDP1 (0.42) TDP1KDM4ESMN1; SMN2GAAALDH1A1
SCHEMBL30549876 0.80 KDM4E (0.52) SLC6A4RXFP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4524498 0.80 KDM4E (0.52) SLC6A4RXFP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3323835 0.80 L3MBTL1 (0.37) SLC6A4KDM4EHTR2AKCNH2CYP2D6
SCHEMBL3324430 0.80 CYP11B1 (0.39) SLC6A4KDM4EALDH1A1HTTKMT2A
SCHEMBL23648069 0.80 L3MBTL1 (0.38) SLC6A4KDM4EALDH1A1LMNACYP1A2
SCHEMBL23648160 0.78 SLC6A4 (0.45) SLC6A4KDM4EALDH1A1CYP2C19HTT
SCHEMBL4524912 0.78 CYP2C19 (0.50) RXFP1KDM4EALDH1A1LMNACYP1A2

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 TDP1 3902/4885CACNA1B 2052/4885SLC6A4 2527/4885

“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.