SCHEMBL3035650

SCHEMBL3035650

Nc1ccc2nc(O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.59
KMT2A Q03164 9/20 0.59
RXFP1 Q9HBX9 3/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
MAPT P10636 12/20 0.58
KDM4E B2RXH2 10/20 0.58
GAA P10253 9/20 0.58
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
GLA P06280 5/20 0.58
GFER P55789 3/20 0.58
RECQL P46063 2/20 0.58
POLB P06746 5/20 0.54
HPGD P15428 5/20 0.54
BLM P54132 4/20 0.54
PKM P14618 4/20 0.54
TDP1 Q9NUW8 4/20 0.54

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
SCHEMBL3035648 0.84 MAPKAPK2 (0.49) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL725354 0.79 PLAU (0.66) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL9578438 0.79 PLAU (0.46) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL28151598 0.79 PLAU (0.66) MAPTKDM4EGAAALDH1A1GFER
Hydrochloric Acid SCHEMBL6621844 0.78 PLAU (0.63) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL20485660 0.77 MEN1 (0.65) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL1925827 0.76 MAPT (0.76) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL172884 0.76 MEN1 (0.59) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL8873645 0.76 ALDH1A1 (0.56) MAPTKDM4EALDH1A1RAB9AGLA
SCHEMBL1663312 0.76 MAPT (0.60) MEN1KMT2ARXFP1CACNA1BAPBA1

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-20170020900-A1 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF NIH - DEITR 2017-01-26 US disclosed
US-9301940-B2 Methods for screening antimicrobial and antiviral compounds and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2016-04-05 US disclosed
US-20100216852-A1 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION 2010-08-26 US disclosed
WO-2008066576-A2 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2008-06-05 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 (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-20170020900-A1 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF ZC3HAV1, MAVS, EIF2AK2 MEN1 4593/4885KMT2A 3636/4885RXFP1 4370/4885
US-20100216852-A1 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF ZC3HAV1, MAVS, EIF2AK2 MEN1 4593/4885KMT2A 3636/4885RXFP1 4370/4885

“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.