SCHEMBL6452633

SCHEMBL6452633

CNN=C(N)c1ncccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
NFE2L2 Q16236 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL6454002 0.81 GAA (0.48) GAATDP1NPC1RAB9ALMNA
SCHEMBL6450672 0.81 GAA (0.44) GAATDP1NPC1RAB9ALMNA
SCHEMBL6450527 0.78 PLAU (0.46) CYP3A4CYP1A2CYP2C19NPC1RAB9A
SCHEMBL17984755 0.74 CNR2 (0.41) GAATDP1NPC1RAB9ANFE2L2
SCHEMBL1570557 0.74 CTNNB1 (0.45) GAATDP1CYP3A4ALDH1A1NFE2L2
SCHEMBL1987669 0.73 NFE2L2 (0.43) GAANFE2L2HCRTR1HCRTR2DHODH
Hydrochloric Acid SCHEMBL25226224 0.72 CTNNB1 (0.44) GAATDP1CYP3A4ALDH1A1NFE2L2
Hydrochloric Acid SCHEMBL25174521 0.72 CNR2 (0.40) GAATDP1ALDH1A1NPC1RAB9A
SCHEMBL30305710 0.71 KDM4E (0.44) GAANPC1RAB9ALMNANFE2L2
SCHEMBL26674983 0.71 KDM4E (0.44) GAANPC1RAB9ALMNANFE2L2

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GAA 519/4885TDP1 4550/4885CYP3A4 31/4885

“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.