SCHEMBL29454259

SCHEMBL29454259

Cc1c(N)cc(F)cc1Nc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SOS1 Q07889 1/20 0.42
HDAC1 Q13547 3/20 0.41
GAA P10253 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL29454068 0.86 NUDT1 (0.43) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29454339 0.83 CCNC (0.40) ALDH1A1HDAC1GAANPC1RAB9A
SCHEMBL29454099 0.83 CCNC (0.40) ALDH1A1HDAC1GAANPC1RAB9A
SCHEMBL22232266 0.83 CCNC (0.40) ALDH1A1HDAC1GAANPC1RAB9A
SCHEMBL22232279 0.77 MAPK13 (0.43) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL22232047 0.75 RAPGEF4 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL29454098 0.75 RAPGEF4 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL31723264 0.75 RAPGEF4 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL22231847 0.75 GAA (0.48) SOS1HDAC1GAAKDM4EMEN1
SCHEMBL29454094 0.75 GAA (0.48) SOS1HDAC1GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof PI INDUSTRIES LTD. (IN) 2026-02-10 US claimed
EP-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP claimed
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 US claimed
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof PI INDUSTRIES LTD. (IN) 2026-02-10 US disclosed
EP-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP disclosed
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 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 (2 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-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF H1-3, PRMT7, PFAS ALDH1A1 1020/4885SOS1 4850/4885HDAC1 2083/4885
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof CBR1, CBR3, HCCS ALDH1A1 2035/4885SOS1 3250/4885HDAC1 3500/4885

“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.