SCHEMBL14435495

SCHEMBL14435495

NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.60
L3MBTL1 Q9Y468 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LOXL2 Q9Y4K0 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX5 P09917 1/20 0.48

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
SCHEMBL13140240 0.84 L3MBTL1 (0.60) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL204739 0.84 L3MBTL1 (0.56) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL201719 0.84 L3MBTL1 (0.60) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL15229059 0.84 LTA4H (0.42) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL4522401 0.84 L3MBTL1 (0.56) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL16217975 0.82 MEN1 (0.52) LTA4HALDH1A1LOXL2MEN1KMT2A
SCHEMBL14672195 0.81 ALDH1A1 (0.62) L3MBTL1ALDH1A1LOXL2MEN1KMT2A
SCHEMBL4190251 0.81 HDAC1 (0.60) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL16217974 0.80 HDAC3 (0.56) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL2225749 0.80 L3MBTL1 (0.53) LTA4HL3MBTL1ALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562043-B2 Heterocyclic amide derivative and pharmaceutical product containing same EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
US-9562043-B2 Heterocyclic amide derivative and pharmaceutical product containing same EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AJINOMOTO CO., INC. (JP) 2014-11-06 US disclosed
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AJINOMOTO CO., INC. (JP) 2014-11-06 US disclosed
WO-2007089557-A2 POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 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-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TRPA1, TRPV1, TRPV2 LTA4H 327/4885L3MBTL1 4745/4885ALDH1A1 651/4885

“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.