SCHEMBL7079342

SCHEMBL7079342

CC(=O)Nc1ccc(NC(=O)C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
MAP2K1 Q02750 1/20 0.52
EPHX1 P07099 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDR P35968 1/20 0.45
KIF11 P52732 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GRM4 Q14833 1/20 0.44
AR P10275 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9807561 0.91 MAP2K1 (0.54) L3MBTL1MAP2K1EPHX1TRPV1KDR
SCHEMBL11599081 0.84 L3MBTL1 (0.64) L3MBTL1MAP2K1CYP1A2CYP2C9CYP2C19
SCHEMBL30254315 0.82 L3MBTL1 (0.60) L3MBTL1MAP2K1EPHX1CYP1A2CYP2C9
SCHEMBL23885115 0.82 L3MBTL1 (0.60) L3MBTL1MAP2K1EPHX1CYP1A2CYP2C9
SCHEMBL3239869 0.80 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL11599074 0.80 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL6811081 0.79 CYP1A2 (0.67) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11440590 0.79 MAP2K1 (0.47) L3MBTL1MAP2K1EPHX1TRPV1KDR
SCHEMBL17988061 0.79 MAP2K1 (0.55) L3MBTL1MAP2K1EPHX1TRPV1KDR
SCHEMBL7078572 0.78 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1

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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 L3MBTL1 2544/4885MAP2K1 2504/4885EPHX1 4295/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR L3MBTL1 619/4885MAP2K1 3590/4885EPHX1 3631/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 L3MBTL1 1529/4885MAP2K1 1836/4885EPHX1 3260/4885

“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.