SCHEMBL6984307

SCHEMBL6984307

Cc1cccc2[nH]c(NN)nc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 14/20 0.49
GAA P10253 14/20 0.49
SI P14410 14/20 0.49
MGAM2 Q2M2H8 14/20 0.49
ESR1 P03372 1/20 0.46
CBFB Q13951 1/20 0.46
HPSE Q9Y251 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7850069 0.84 MGAM (0.50) MGAMGAASIMGAM2ESR1
SCHEMBL11782292 0.79 MGAM (0.46) MGAMGAASIMGAM2ESR1
SCHEMBL6972586 0.79 HPSE (0.46) MGAMGAASIMGAM2ESR1
SCHEMBL21855798 0.79 ADORA1 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16342366 0.79 CBFB (0.45) GAACBFBKDM4ENPC1RAB9A
SCHEMBL6973496 0.78 RIPK1 (0.41) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL3413861 0.78 HPSE (0.55) MGAMGAASIMGAM2HPSE
Hydrochloric Acid SCHEMBL11786682 0.78 HPSE (0.45) MGAMGAASIMGAM2ESR1
Hydrochloric Acid SCHEMBL11789101 0.78 HPSE (0.45) MGAMGAASIMGAM2ESR1
Hydrochloric Acid SCHEMBL11576683 0.77 HPSE (0.53) MGAMGAASIMGAM2HPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
EP-1286987-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-03-05 EP disclosed
WO-2001094340-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) 2001-12-13 WO 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-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF HDAC1, HDAC11, HDAC6 MGAM 3834/4885GAA 473/4885SI 3361/4885

“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.