SCHEMBL5366083

SCHEMBL5366083

Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KIF11 P52732 3/20 0.35
IDO1 P14902 2/20 0.34
MPL P40238 2/20 0.34
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5847207 0.90 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL941310 0.83 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
SCHEMBL9727879 0.83 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
SCHEMBL19878554 0.83 ALDH1A1 (0.36) ALDH1A1KIF11IDO1MPLPKM
SCHEMBL379155 0.82 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL5958675 0.82 ALDH1A1 (0.41) ALDH1A1KIF11PKMSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL30779699 0.80 IDO1 (0.52) ALDH1A1CA12CA1CA2CA4
Bromide SCHEMBL29950269 0.80 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL13974786 0.79 SMN1; SMN2 (0.46) ALDH1A1HDAC1HDAC6SMN1; SMN2HSD17B10
SCHEMBL24217566 0.78 SMN1; SMN2 (0.40) ALDH1A1KIF11PKMSMN1; SMN2KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013065725-A1 PHTHALAMIDE DERIVATIVE, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL APPLICATIONS WHICH COMPRISES SAID DERIVATIVE, AND METHOD OF UTILIZING SAID PESTICIDE 日本農薬株式会社 (JP) 2013-05-10 WO disclosed
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
EP-1006102-B1 Process for the production of perfluoroalkylated aniline derivatives NIHON NOHYAKU CO LTD (JP) 2006-08-30 EP disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-6717013-B2 EASILY ATTAINED WITH HIGH POSITIONAL SELECTIVITY AND YIELD; INTERMEDIATES AND RAW MATERIALS NIHON NOHYAKU CO., LTD. (JP) 2004-04-06 US disclosed
EP-1380568-A2 Perfluoroalkylaniline derivatives NIHON NOHYAKU CO., LTD. (JP) 2004-01-14 EP disclosed
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2003-10-30 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
US-6600074-B2 Useful as intermediates or raw materials for the synthesis of agricultural chemicals, pharmaceuticals NIHON NOHYAKU CO., LTD. (JP) 2003-07-29 US disclosed
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2002-12-26 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP disclosed
EP-1006102-A2 Aniline derivative and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2000-06-07 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 (4 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 ALDH1A1 1079/4885CA12 3464/4885CA1 3258/4885
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 ALDH1A1 722/4885CA12 2579/4885CA1 3705/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 ALDH1A1 2953/4885CA12 1916/4885CA1 2489/4885
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 ALDH1A1 722/4885CA12 2579/4885CA1 3705/4885

“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.