SCHEMBL16264607

SCHEMBL16264607

CCN1CCc2sc(C(=O)O)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
RAD52 P43351 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 4/20 0.44
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GRM5 P41594 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
F10 P00742 2/20 0.39

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
SCHEMBL15014912 0.88 RAD52 (0.60) RAD52RECQLGAAALDH1A1POLB
SCHEMBL12035208 0.80 PRMT5 (0.47) HRH3RAD52ALDH1A1MAPTKMT2A
SCHEMBL743724 0.79 PRMT5 (0.46) HRH3RAD52ALDH1A1MAPTKMT2A
SCHEMBL14496899 0.77 F10 (0.39) RAD52RECQLALDH1A1POLBMAPT
SCHEMBL5548358 0.75 F10 (0.38) RAD52RECQLALDH1A1POLBMAPT
SCHEMBL16264341 0.75 NPC1 (0.49) GAAKMT2ANPSR1GRM5PRMT5
SCHEMBL3300620 0.75 F10 (0.40) RAD52ALDH1A1MAPTKDM4EGRM5
SCHEMBL16264343 0.74 ADORA1 (0.36) GRM5PRMT5WDR77F10NPC1
SCHEMBL3308766 0.74 F10 (0.40) RAD52ALDH1A1MAPTKDM4EGRM5
SCHEMBL16657114 0.73 RAD52 (0.42) RAD52RECQLGAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 HRH3 4211/4885RAD52 3431/4885RECQL 1157/4885

“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.