SCHEMBL4822668

SCHEMBL4822668

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDK1 Q15118 4/20 0.44
PDK2 Q15119 4/20 0.44
PDK3 Q15120 4/20 0.44
PDK4 Q16654 4/20 0.44
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
SCHEMBL8346848 0.86 MAPT (0.56) HPGDALDH1A1MAPTCYP2C19PDK1
SCHEMBL4827879 0.85 HPGD (0.44) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL4826888 0.85 MAPT (0.55) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL3878977 0.83 CA1 (0.54) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL4818370 0.81 MAPT (0.60) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL4820294 0.81 HPGD (0.49) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL2874293 0.81 HPGD (0.49) HPGDRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2095473 0.80 HPGD (0.58) HPGDALDH1A1RAB9ANPC1ATM
SCHEMBL2089909 0.80 HPGD (0.70) HPGDALDH1A1RAB9ANPC1MAPT
SCHEMBL31570071 0.78 ALDH1A1 (0.47) HPGDALDH1A1RAB9ANPC1GLA

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 1153/4885ALDH1A1 441/4885RAB9A 811/4885

“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.