SCHEMBL4823779

SCHEMBL4823779

CCC(C)(C)c1ccc(N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 4/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ESR2 Q92731 2/20 0.39
ESR1 P03372 2/20 0.39
AR P10275 1/20 0.39
RECQL P46063 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9612066 0.83 CNR1 (0.42) NPC1MAPTCYP3A4TSHRMAPK1
SCHEMBL15156887 0.82 NPC1 (0.48) NPC1RAB9AMAPTCYP3A4TSHR
SCHEMBL10247636 0.82 TSHR (0.52) NPC1RAB9AMAPTCYP3A4TSHR
SCHEMBL2811051 0.79 TSHR (0.50) MAPTCYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL2963375 0.79 ALDH1A1 (0.52) NPC1RAB9AMAPTCYP3A4TSHR
SCHEMBL30279249 0.79 ALDH1A1 (0.52) NPC1RAB9AMAPTCYP3A4TSHR
SCHEMBL14462702 0.78 MAPK1 (0.43) NPC1RAB9AMAPTCYP3A4TSHR
SCHEMBL9353505 0.78 MAPT (0.46) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL9612031 0.78 TSHR (0.48) NPC1MAPTCYP3A4TSHRMAPK1
SCHEMBL22280536 0.78 CYP3A4 (0.48) NPC1MAPTCYP3A4TSHRMAPK1

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 5 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
CN-100376542-C 4-alkyl-2-haloaniline derivative and process for producing the same MEIJI SEIKA KAISHA (JP) 2008-03-26 CN disclosed
CN-1653034-A 4-alkyl-2-haloaniline derivative and process for producing the same MEIJI SEIKA KAISHA (JP) 2005-08-10 CN 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 NPC1 2718/4885RAB9A 811/4885MAPT 4260/4885

“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.