SCHEMBL8002802

SCHEMBL8002802

Cc1ccc(-c2ncon2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.36
HDAC6 Q9UBN7 4/20 0.36
KDM1A O60341 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
CASP6 P55212 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CYP3A4 P08684 2/20 0.34
GABRA5 P31644 1/20 0.33
GRM2 Q14416 1/20 0.33
MPO P05164 1/20 0.33
RORC P51449 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL29542837 0.82 CASP6 (0.45) HDAC1HDAC6CASP6MPORORC
SCHEMBL24799564 0.82 CASP6 (0.45) HDAC1HDAC6CASP6MPORORC
SCHEMBL28410086 0.81 NPC1 (0.42) CASP6MEN1NPC1NFKB1RAB9A
SCHEMBL24386209 0.79 ESR1 (0.49) CASP6
SCHEMBL8001417 0.79 NPC1 (0.47) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL16787390 0.76 KMO (0.44) CASP6HCRTR1HCRTR2CYP3A4MEN1
SCHEMBL2550962 0.76 ENPP2 (0.38) CASP6MPORORCKMO
SCHEMBL18216633 0.75 RORC (0.43) HDAC1HDAC6HDAC8RORCHDAC5
SCHEMBL13310773 0.74 HDAC1 (0.40) HDAC1HDAC6KDM1AHDAC8HDAC2
SCHEMBL11996640 0.74 HDAC1 (0.42) HDAC1HDAC6KDM1AHDAC8HDAC2

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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 HDAC1 476/4885HDAC6 458/4885KDM1A 929/4885

“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.