SCHEMBL22231908

SCHEMBL22231908

Cc1cc(N)c(Cl)c(Nc2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.46
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
ROCK1 Q13464 1/20 0.42
HPGD P15428 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL29454046 1.00 FADS1 (0.46) FADS1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31723203 1.00 FADS1 (0.46) FADS1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29454112 0.89 NPSR1 (0.49) MAPTAKR1C3AKR1C2RAPGEF4EGFR
SCHEMBL29454250 0.85 GAA (0.50) MEN1KMT2AGAAMAPTHPGD
SCHEMBL22231911 0.85 GAA (0.50) MEN1KMT2AGAAMAPTHPGD
SCHEMBL22231784 0.85 RAPGEF4 (0.53) MEN1KMT2ASMN1; SMN2RAPGEF4PTGS1
SCHEMBL29454093 0.85 RAPGEF4 (0.53) MEN1KMT2ASMN1; SMN2RAPGEF4PTGS1
SCHEMBL31723231 0.85 RAPGEF4 (0.53) MEN1KMT2ASMN1; SMN2RAPGEF4PTGS1
SCHEMBL22231952 0.82 RAPGEF4 (0.55) MEN1KMT2AGAAMAPTROCK1
SCHEMBL31723189 0.82 FADS1 (0.42) FADS1GAAMAPTRAPGEF4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 US claimed
EP-3911629-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2021-11-24 EP claimed
CN-113454063-A 3-substituted phenylamidine compounds, preparation method and application thereof PI工业有限公司 2021-09-28 CN claimed
WO-2020148617-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-07-23 WO claimed
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 US disclosed
EP-3911629-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2021-11-24 EP disclosed
CN-113454063-A 3-substituted phenylamidine compounds, preparation method and application thereof PI工业有限公司 2021-09-28 CN disclosed
WO-2020148617-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-07-23 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-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF H1-3, PRMT7, PFAS FADS1 3463/4885HTR3E 2292/4885HTR3B 1849/4885

“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.