SCHEMBL13628201

SCHEMBL13628201

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CXCR5 P32302 1/20 0.36
MAPK8 P45983 1/20 0.36
ROCK2 O75116 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
NR1I2 O75469 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
RORB Q92753 1/20 0.34

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
SCHEMBL13628304 0.95 RAB9A (0.41) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628306 0.91 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628302 0.91 RAB9A (0.42) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628198 0.90 KMT2A (0.43) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628203 0.88 NPC1 (0.43) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628199 0.88 MAPT (0.40) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628195 0.88 RPS6KA2 (0.40) RAB9ANPC1POLBNPSR1CXCR5
SCHEMBL13628200 0.87 NPC1 (0.45) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628193 0.87 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL13628197 0.86 NPC1 (0.39) RAB9ANPC1POLBNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 RAB9A 3486/4885NPC1 1715/4885ALDH1A1 4310/4885

“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.