SCHEMBL17897747

SCHEMBL17897747

Cc1cc(I)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.68
▸ POLB P06746 3/20 0.68
▸ NPC1 O15118 3/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ ALDH1A1 P00352 7/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ PDPK1 O15530 1/20 0.57
▸ CYTH3 O43739 1/20 0.57
▸ AKT1 P31749 1/20 0.57
▸ GAA P10253 2/20 0.56
▸ ALOX12 P18054 2/20 0.53
▸ LMNA P02545 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52

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
SCHEMBL15778485 0.92 MAPT (0.76) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL14808169 0.85 MAPT (0.80) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL17897761 0.82 AKT1 (0.85) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL17897750 0.82 PDPK1 (0.71) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL17897748 0.77 PDPK1 (0.55) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL15778626 0.76 POLB (0.66) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL5455277 0.76 MAPT (0.76) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL14096590 0.76 POLB (0.62) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL30434704 0.75 KMT2A (0.82) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL5455148 0.75 KMT2A (0.82) MAPTPOLBNPC1RAB9AALDH1A1

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 MAPT 4828/4885POLB 3254/4885NPC1 1568/4885

“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.

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