SCHEMBL17438142

SCHEMBL17438142

Cc1cccc(C)c1N(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MYC P01106 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL9228128 0.86 KMT2A (0.54) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL9784470 0.83 KMT2A (0.51) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL2092543 0.80 TRPM8 (0.51) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL9513936 0.79 NPSR1 (0.45) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL1817674 0.78 MEN1 (0.46) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL19778 0.78 NPSR1 (0.70) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL11840802 0.77 NPSR1 (0.42) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL9789595 0.77 NPSR1 (0.43) KMT2AMEN1TSHRNPSR1ALDH1A1
Methylamine SCHEMBL10655180 0.76 NPSR1 (0.61) KMT2AMEN1TSHRNPSR1ALDH1A1
M-Xylene SCHEMBL29227716 0.76 RAB9A (0.50) KMT2AMEN1TSHRNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 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 (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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN ANTXR2, TSG101, ANXA1 KMT2A 4471/4885MEN1 4291/4885TSHR 3368/4885

“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.