SCHEMBL9999681

SCHEMBL9999681

Cc1cc2nc(CN)[nH]c2cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 2/20 0.68
ATM Q13315 2/20 0.68
PSMD14 O00487 1/20 0.68
MMP2 P08253 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
FABP6 P51161 1/20 0.58
CACNA1H O95180 1/20 0.57
F10 P00742 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52
PDE10A Q9Y233 1/20 0.49
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
POLB P06746 1/20 0.43
METAP1 P53582 2/20 0.41

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
SCHEMBL1973001 0.85 KMT2A (0.64) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL30701865 0.84 KMT2A (0.72) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL7853107 0.84 KMT2A (0.72) KMT2AMAPTMEN1ATMPSMD14
Hydrochloric Acid SCHEMBL8829895 0.84 KMT2A (0.62) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL8845396 0.82 KMT2A (0.70) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL19494461 0.82 CACNA1H (0.48) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL1888288 0.81 KMT2A (0.58) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL9667178 0.81 KMT2A (1.00) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL2792513 0.81 KMT2A (0.68) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL3312289 0.81 KMT2A (0.68) KMT2AMAPTMEN1ATMPSMD14

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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 US disclosed
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
US-20110294668-A1 INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-01 US disclosed
WO-2009131654-A2 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 WO disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 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 (2 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 KMT2A 2619/4885MAPT 3509/4885MEN1 1550/4885
US-20110294668-A1 INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES SOD1, APOBEC3A, CLPP KMT2A 2208/4885MAPT 643/4885MEN1 3530/4885

“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.