SCHEMBL16573282

SCHEMBL16573282

CC(=S)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
MAPT P10636 7/20 0.60
LMNA P02545 5/20 0.60
NPC1 O15118 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.57
GAA P10253 4/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTT P42858 4/20 0.56
ALOX12 P18054 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GLA P06280 1/20 0.55
TGM2 P21980 1/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL147358 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6301912 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14633632 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL27499998 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL642700 0.82 KMT2A (0.81) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7776355 0.82 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL16922176 0.82 KMT2A (0.81) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6815786 0.82 MAPT (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4050791 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
Phosphine SCHEMBL28320532 0.81 KMT2A (0.78) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-9687832-B2 Bifunctional organic catalysts OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-27 US disclosed
US-20150298109-A1 BIFUNCTIONAL ORGANIC CATALYSTS ISIS INNOVATION LIMITED (GB) 2015-10-22 US disclosed
EP-2444085-B1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer UNIV CALIFORNIA (US) 2015-03-18 EP disclosed
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN 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-20150298109-A1 BIFUNCTIONAL ORGANIC CATALYSTS CCNL2, UBE2L3, ARL1 ALDH1A1 1163/4885SMN1; SMN2 3813/4885KMT2A 1097/4885

“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.