SCHEMBL4824928

SCHEMBL4824928

COC(=O)Nc1ccc(C(C)C)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 2/20 0.43
KDR P35968 2/20 0.43

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
SCHEMBL4826908 0.85 CYP1A2 (0.55) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL28816871 0.83 MAPK1 (0.45) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10620579 0.83 CA1 (0.54) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL4827992 0.81 HPGD (0.49) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL4826296 0.81 P2RX4 (0.49) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL4825991 0.81 HPGD (0.49) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL2095473 0.80 HPGD (0.58) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL2089909 0.80 HPGD (0.70) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL31645535 0.78 HPGD (0.43) HPGDRAB9ANPC1ALDH1A1MAPK1
SCHEMBL3785145 0.78 EGFR (0.54) HPGDRAB9ANPC1MAPTALDH1A1

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 1153/4885RAB9A 811/4885NPC1 2718/4885

“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.