SCHEMBL5110120

SCHEMBL5110120

CC(N)c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 11/20 0.59
NPBWR1 P48145 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KIF11 P52732 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 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
Bromide SCHEMBL28604564 0.98 SCN10A (0.58) SCN10ANPBWR1AAK1KDM4EKIF11
Bromide SCHEMBL28604567 0.98 SCN10A (0.58) SCN10ANPBWR1AAK1KDM4EKIF11
Bromide SCHEMBL31276057 0.98 SCN10A (0.58) SCN10ANPBWR1AAK1KDM4EKIF11
SCHEMBL5681322 0.88 SCN10A (0.75) SCN10ANPBWR1AAK1IDO1
SCHEMBL12410866 0.88 SCN10A (0.55) SCN10ANPBWR1KDM4EKIF11LMNA
SCHEMBL15311094 0.86 SCN10A (0.58) SCN10AKDM4EKIF11LMNAHSD17B10
SCHEMBL15311092 0.86 SCN10A (0.58) SCN10AKDM4EKIF11LMNAHSD17B10
SCHEMBL5682994 0.85 SCN10A (0.59) SCN10ANPBWR1KDM4EKIF11LMNA
SCHEMBL15172700 0.81 SCN10A (0.46) SCN10AKDM4ELMNAHSD17B10TAAR1
SCHEMBL15172719 0.81 SCN10A (0.46) SCN10AKDM4ELMNAHSD17B10TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 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 (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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SCN10A 1465/4885NPBWR1 4242/4885AAK1 3313/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 SCN10A 1505/4885NPBWR1 3932/4885AAK1 2401/4885

“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.