SCHEMBL9894487

SCHEMBL9894487

[NH]C(=O)n1cnc(-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN4A P35499 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MGLL Q99685 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
SLC6A7 Q99884 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
SCHEMBL9894481 0.78 DHODH (0.37) HDAC1HDAC6CES2CES1GRIN2B
SCHEMBL9894339 0.74 HDAC1 (0.48) HDAC1HDAC6KDM4ENPC1MEN1
SCHEMBL17541736 0.69 AOC3 (0.48) HDAC1HDAC6NPC1SCN4ARAB9A
SCHEMBL1916590 0.69 HDAC1 (0.47) HDAC1HDAC6KDM4ENPC1KMT2A
SCHEMBL29813624 0.67 HDAC1 (0.52) HDAC1HDAC6NPC1MEN1KMT2A
SCHEMBL24669420 0.66 MAPT (0.44) HDAC1HDAC6KDM4ENPC1MEN1
SCHEMBL1334053 0.65 ALDH1A1 (0.41) HDAC1HDAC6ALDH1A1CES2CES1
SCHEMBL28875203 0.63 HDAC1 (0.49) HDAC1HDAC6NPC1KMT2AALDH1A1
SCHEMBL24669424 0.63 HDAC1 (0.45) HDAC1HDAC6NPC1MEN1KMT2A
SCHEMBL4636278 0.62 BCL2L1 (0.61) HDAC1HDAC6BCL2L1BADKDM4E

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-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 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-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC HDAC1 125/4885HDAC6 72/4885BCL2L1 796/4885

“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.