SCHEMBL3024864

SCHEMBL3024864

CCn1c(NCc2cc(C)ccc2O)nc2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.83
KMT2A Q03164 8/20 0.83
MAPT P10636 8/20 0.83
ALDH1A1 P00352 6/20 0.83
POLB P06746 1/20 0.83
NPSR1 Q6W5P4 2/20 0.77
HPGD P15428 3/20 0.76
GAA P10253 1/20 0.76
GFER P55789 1/20 0.76
MAPK1 P28482 3/20 0.76
USP2 O75604 3/20 0.76
TP53 P04637 3/20 0.62
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
PKM P14618 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL3022255 0.91 MAPT (1.00) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3021963 0.89 MAPT (0.88) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3031459 0.87 MAPT (1.00) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3023642 0.87 MAPT (0.80) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3024327 0.86 ALDH1A1 (0.77) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3017681 0.83 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL22726474 0.79 MAPT (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3028381 0.78 MAPT (0.88) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3022079 0.77 MAPT (0.86) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3024150 0.77 MEN1 (0.79) MEN1KMT2AMAPTALDH1A1POLB

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 4 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-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS MEN1 2889/4885KMT2A 1233/4885MAPT 4542/4885
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 MEN1 1626/4885KMT2A 4412/4885MAPT 1849/4885

“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.