SCHEMBL17891682

SCHEMBL17891682

O=C(NC(=S)Nc1cc([N+](=O)[O-])c(Cl)cc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.47
PDPK1 O15530 2/20 0.46
CYTH3 O43739 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15777345 0.99 AKT1 (0.48) AKT1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL17897770 0.93 AKT1 (0.58) AKT1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL17897744 0.84 AKT1 (0.65) AKT1ALDH1A1KMT2AMEN1PDPK1
SCHEMBL15778295 0.81 AKT1 (0.58) AKT1ALDH1A1KMT2AMEN1PDPK1
SCHEMBL15777853 0.81 AKT1 (0.71) AKT1ALDH1A1KMT2AMEN1PDPK1
SCHEMBL15777809 0.80 AKT1 (0.64) AKT1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL15778964 0.80 AKT1 (0.55) AKT1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL15777081 0.80 P2RX1 (0.56) AKT1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL15778899 0.79 AKT1 (0.66) AKT1ALDH1A1KMT2AMEN1PDPK1
SCHEMBL15777239 0.79 AKT1 (0.65) AKT1ALDH1A1KMT2AMEN1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 US disclosed
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 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-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS TRRAP, NAT1, AHR AKT1 2603/4885ALDH1A1 445/4885KMT2A 797/4885

“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.