SCHEMBL4820332

SCHEMBL4820332

CCC(C)(C)c1ccc(NC(=O)OC)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
POLB P06746 2/20 0.36
PKM P14618 2/20 0.36

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
SCHEMBL4818327 0.89 CYP1A2 (0.52) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL4820294 0.85 HPGD (0.49) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL4827104 0.83 MAPT (0.52) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL4826266 0.83 HPGD (0.44) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL4827879 0.83 HPGD (0.44) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL4826498 0.77 MAPT (0.55) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11266548 0.75 MAPT (0.56) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL463622 0.73 CYP1A2 (0.54) HPGDSMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL4826080 0.72 MAPT (0.62) HPGDSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL4827449 0.72 CYP1A2 (0.52) HPGDSMN1; SMN2MAPK1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439382-B2 4-alkyl-2-haloaniline derivatives and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-10-21 US disclosed
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2005-06-30 US disclosed
EP-1506954-A1 4-ALKYL-2-HALOANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-02-16 EP 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-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same NAT1, CYP4X1, HAX1 HPGD 1153/4885SMN1; SMN2 4051/4885MAPK1 739/4885

“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.