SCHEMBL4821992

SCHEMBL4821992

CCOC(=O)Nc1ccc(C(C)(C)C)cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KCNQ3 O43525 4/20 0.48
KCNQ2 O43526 4/20 0.48
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 1/20 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
SCHEMBL4827449 0.89 CYP1A2 (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4822688 0.89 MAPT (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2874293 0.85 HPGD (0.49) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL12407109 0.83 CYP1A2 (0.73) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4824924 0.83 MAPT (0.77) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4826888 0.83 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4826498 0.83 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9175285 0.82 CYP1A2 (0.61) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29177200 0.82 GAA (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4826533 0.81 NLRP3 (0.51) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2

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 MAPT 4260/4885CYP1A2 4/4885CYP2C9 20/4885

“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.