SCHEMBL4825997

SCHEMBL4825997

CCC(C)(C)c1ccc(N)c(F)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
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 2/20 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
▸ ESR1 P03372 2/20 0.39
▸ AR P10275 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 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
SCHEMBL13496391 0.82 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL15156887 0.82 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL2875291 0.79 ALDH1A1 (0.52) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL29739413 0.79 ALDH1A1 (0.52) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL9353505 0.78 MAPT (0.46) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL19965714 0.78 MAPK1 (0.43) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL10355888 0.78 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2ESR1AR
SCHEMBL3278920 0.77 ESR1 (0.50) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL13882014 0.77 ESR1 (0.46) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4827420 0.77 MAPT (0.44) NPC1RAB9AMAPTALDH1A1MAPK1

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 7 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-1307160-C Process for producing 2,3, 6-trialkyl-8-fluoro-4-quinoline derivative MEIJI SEIKA KAISHA (JP) 2007-03-28 — — CN disclosed
CN-1668597-A Process for producing 2,3,6-trialkyl-8-fluoro-4-quinoline derivative MEIJI SEIKA KAISHA (JP) 2005-09-14 — — 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.

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