SCHEMBL17897748

SCHEMBL17897748

Cc1cc(I)cc(C(=O)NC(=S)Nc2ccc(I)cc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.55
▸ CYTH3 O43739 1/20 0.55
▸ AKT1 P31749 1/20 0.55
▸ MAPT P10636 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 2/20 0.45
▸ EPHX1 P07099 1/20 0.43

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
SCHEMBL17891681 0.95 AKT1 (0.60) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL17897750 0.83 PDPK1 (0.71) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL17897761 0.81 AKT1 (0.85) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL17897747 0.77 MAPT (0.68) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL17897743 0.75 AKT1 (0.64) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL15777209 0.74 AKT1 (0.83) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL6611147 0.73 HCAR3 (0.52) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL17897753 0.73 AKT1 (0.57) PDPK1CYTH3AKT1MAPTNPC1
SCHEMBL17897749 0.72 ALDH1A1 (0.71) PDPK1AKT1MAPTALDH1A1LMNA
SCHEMBL15777239 0.72 AKT1 (0.65) PDPK1CYTH3AKT1MAPTNPC1

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 PDPK1 4430/4885CYTH3 2061/4885AKT1 2603/4885

“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.

Send feedback