SCHEMBL4827449

SCHEMBL4827449

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KCNQ2 O43526 7/20 0.46
KCNQ3 O43525 5/20 0.46
KCNQ4 P56696 2/20 0.46
KCNQ5 Q9NR82 2/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 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
SCHEMBL4826266 0.89 HPGD (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL4821992 0.89 MAPT (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL4818327 0.84 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL4822082 0.84 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL4826080 0.84 MAPT (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL27563485 0.83 HDAC1 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL12407109 0.81 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL9175285 0.80 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL2765494 0.79 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL4822688 0.78 MAPT (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2

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 CYP1A2 4/4885CYP2C9 20/4885CYP2C19 57/4885

“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.