SCHEMBL4826533

SCHEMBL4826533

CCOC(=O)Nc1c(F)cc(C(C)(C)C)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.51
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4826143 0.83 SMN1; SMN2 (0.38) NLRP3MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL7225330 0.83 NLRP3 (0.50) NLRP3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7558526 0.81 NLRP3 (0.54) NLRP3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL4821992 0.81 MAPT (0.55) KCNQ3KCNQ2KCNQ4KCNQ5CYP1A2
SCHEMBL4822688 0.78 MAPT (0.52) NLRP3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL2090679 0.77 NLRP3 (0.79) NLRP3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL462898 0.76 KCNQ2 (0.46) NLRP3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5761616 0.74 ALDH1A1 (0.52) NLRP3CYP1A2CYP2C9CYP2C19MAPT
Hydrochloric Acid SCHEMBL10884520 0.74 MAPT (0.39) NLRP3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL4827449 0.73 CYP1A2 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5CYP1A2

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 NLRP3 3421/4885KCNQ3 344/4885KCNQ2 268/4885

“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.