SCHEMBL3423975

SCHEMBL3423975

FC(F)(F)Oc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
KHK P50053 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
PKM P14618 3/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ABCB11 O95342 1/20 0.48
TP53 P04637 1/20 0.48
MTOR P42345 1/20 0.48
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MASP2 O00187 1/20 0.46
NUDT1 P36639 1/20 0.46
AOC3 Q16853 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7857823 0.78 ALDH1A1 (0.58) NPSR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8162770 0.78 ALDH1A1 (0.48) NPSR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31601676 0.78 ALDH1A1 (0.48) NPSR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL147097 0.76 PKM (0.59) ALDH1A1KDM4ENPC1RAB9APKM
Trifluoroacetic Acid SCHEMBL8515314 0.75 CHRM1 (0.48) NPSR1ALDH1A1KDM4EKHKNPC1
SCHEMBL20239570 0.75 NPSR1 (0.47) NPSR1ALDH1A1KDM4EKHKNPC1
SCHEMBL18400238 0.75 ALDH1A1 (0.54) NPSR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL1748039 0.75 NPC1 (0.54) NPSR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9629621 0.75 ALDH1A1 (0.54) NPSR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL29745123 0.75 NPC1 (0.54) NPSR1ALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534620-A Preparation method of palladium-catalyzed hydrocarbon bond functionalized 2-trifluoromethyl benzimidazole compound 六盘水师范学院 2024-02-09 CN claimed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-7723526-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723527-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7705149-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
US-7705143-B2 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-[1,4]diazepan-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; use in leukocyte recruitment inhibition, in modulating H4 receptor, and in treating conditions such as inflammation, H4 receptor-mediated conditions JANSSEN PHARMACEUTICA N.V. (BG) 2010-04-27 US disclosed
US-20090270613-A1 Benzoimidazole compounds EDWARDS JAMES P 2009-10-29 US disclosed
US-20090270611-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090264646-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264645-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US 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 (7 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-20090270613-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPSR1 441/4885ALDH1A1 3379/4885KDM4E 1377/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPSR1 441/4885ALDH1A1 3379/4885KDM4E 1377/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPSR1 441/4885ALDH1A1 3379/4885KDM4E 1377/4885
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation HRH4, HRH3, BRD4 NPSR1 497/4885ALDH1A1 2810/4885KDM4E 826/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT NPSR1 1793/4885ALDH1A1 236/4885KDM4E 366/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPSR1 441/4885ALDH1A1 3379/4885KDM4E 1377/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 NPSR1 119/4885ALDH1A1 2882/4885KDM4E 1627/4885

“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.