SCHEMBL2607501

SCHEMBL2607501

Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.69
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL20715449 0.90 KMT2A (0.76) GSK3BKMT2AMEN1CYP1A2CYP2D6
SCHEMBL11400323 0.88 KDM4E (0.62) GSK3BKMT2AMAPTCYP2C19KDM4E
SCHEMBL10175827 0.86 KMT2A (0.70) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL2607470 0.85 KDM4E (0.69) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL2607478 0.85 KMT2A (0.68) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL3367359 0.84 KMT2A (0.61) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL2607496 0.83 KMT2A (0.66) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL2610181 0.82 MEN1 (0.68) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL13182350 0.82 KMT2A (0.65) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL2607457 0.82 KDM4E (0.73) KMT2AMEN1KDM4ELMNAALDH1A1

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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 US disclosed
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 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 (3 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 GSK3B 1145/4885KMT2A 3016/4885MEN1 3561/4885
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS GSK3B 2898/4885KMT2A 1233/4885MEN1 2889/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 GSK3B 1145/4885KMT2A 3016/4885MEN1 3561/4885

“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.