SCHEMBL4826080

SCHEMBL4826080

CCOC(=O)Nc1ccc(C(C)(C)CC)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
F2R P25116 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4827104 0.89 MAPT (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4824924 0.89 MAPT (0.77) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4818327 0.84 CYP1A2 (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4827449 0.84 CYP1A2 (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4822082 0.84 CYP1A2 (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11642079 0.81 CYP1A2 (0.73) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2539977 0.77 ALDH1A1 (0.58) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11722034 0.77 CYP1A2 (0.58) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10753431 0.77 CYP1A2 (0.58) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11396210 0.77 RAB9A (0.55) 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.