SCHEMBL353369

SCHEMBL353369

CNC(=O)c1cn[nH]c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.47
GAA P10253 2/20 0.38
AHR P35869 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
METAP2 P50579 1/20 0.37
HRH1 P35367 3/20 0.36
CCR3 P51677 3/20 0.36
KCNH2 Q12809 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
XDH P47989 1/20 0.36
ACACB O00763 1/20 0.36
TDO2 P48775 1/20 0.36
P2RX7 Q99572 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
FAAH O00519 2/20 0.35

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
SCHEMBL17057147 0.80 DDR1 (0.41) DDR1GAAAHRHSD17B10TSHR
SCHEMBL29106671 0.79 TSHR (0.57) DDR1GAAAHRHSD17B10TSHR
SCHEMBL214467 0.78 DDR1 (0.42) DDR1GAAAHRHSD17B10TSHR
SCHEMBL1992513 0.77 GAA (0.44) GAATSHRMETAP2ALDH1A1ROCK2
Hydrochloric Acid SCHEMBL29715665 0.77 DDR1 (0.41) DDR1GAAAHRHSD17B10TSHR
SCHEMBL23853474 0.77 DDR1 (0.39) DDR1GAAAHRHSD17B10TSHR
SCHEMBL20304370 0.77 PLK4 (0.42) DDR1GAAAHRHSD17B10TSHR
SCHEMBL30147962 0.77 DDR1 (0.41) DDR1GAAAHRHSD17B10TSHR
SCHEMBL18184521 0.74 TSHR (0.42) GAATSHRHRH1ALDH1A1ROCK2
SCHEMBL29150616 0.73 ALDH1A1 (0.47) DDR1GAAHSD17B10TSHRALDH1A1

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA DDR1 4687/4885GAA 602/4885AHR 2036/4885

“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.