SCHEMBL4821297

SCHEMBL4821297

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX4 Q99571 2/20 0.46
P2RX7 Q99572 2/20 0.46
NLRP3 Q96P20 1/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.44
F2R P25116 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL4826296 0.85 P2RX4 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL11642079 0.83 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL4820272 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL4826373 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL4826908 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL10489912 0.82 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL11722034 0.79 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL10753431 0.79 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL3983979 0.79 CA1 (0.55) CYP1A2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL12848306 0.78 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT

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.