SCHEMBL3424862

SCHEMBL3424862

Cc1cccc2[nH]c(F)nc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 15/20 0.60
GAA P10253 15/20 0.60
SI P14410 15/20 0.60
MGAM2 Q2M2H8 15/20 0.60
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 1/20 0.50
CBFB Q13951 1/20 0.50
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL353891 0.79 PARP1 (0.56) MGAMGAASIMGAM2ESR1
SCHEMBL28873367 0.79 GAA (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1170892 0.79 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL29710428 0.79 GAA (0.45) MGAMGAASIMGAM2ALDH1A1
Bromide SCHEMBL5318091 0.78 PARP1 (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL5201195 0.77 MGAM (0.72) MGAMGAASIMGAM2ESR1
SCHEMBL4692683 0.76 MGAM (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17801881 0.76 MGAM (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL110724 0.76 MGAM (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3109602 0.76 MGAM (0.60) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723527-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723526-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-20090270611-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270613-A1 Benzoimidazole compounds EDWARDS JAMES P 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MGAM 4803/4885GAA 4711/4885SI 3308/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MGAM 4803/4885GAA 4711/4885SI 3308/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MGAM 4803/4885GAA 4711/4885SI 3308/4885
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 MGAM 4798/4885GAA 4846/4885SI 4376/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MGAM 4803/4885GAA 4711/4885SI 3308/4885

“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.