SCHEMBL4822688

SCHEMBL4822688

CCOC(=O)Nc1cc(C(C)(C)C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
KCNQ2 O43526 4/20 0.47
KCNQ3 O43525 3/20 0.47
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
GALK1 P51570 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4821992 0.89 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL18249496 0.82 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL26633328 0.82 MEN1 (0.52) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30695910 0.82 MEN1 (0.52) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30595446 0.80 NLRP3 (0.55) CYP1A2CYP2C9CYP2C19KCNQ2KCNQ3
SCHEMBL20702828 0.80 NLRP3 (0.55) CYP1A2CYP2C9CYP2C19KCNQ2KCNQ3
SCHEMBL4824924 0.80 MAPT (0.77) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4826888 0.80 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4826498 0.80 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20164279 0.80 MAPT (0.49) 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.