SCHEMBL1702862

SCHEMBL1702862

O=C(CSc1nncn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
CYP1A2 P05177 3/20 0.56
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.47
PTP4A3 O75365 1/20 0.47
DNMT1 P26358 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL1755253 0.85 TP53 (0.65) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1
SCHEMBL1702962 0.83 ALDH1A1 (0.66) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1
SCHEMBL6403512 0.80 KMT2A (0.70) ALDH1A1CYP1A2KMT2AMEN1CYP2C19
SCHEMBL1703004 0.70 ALDH1A1 (0.52) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1
SCHEMBL1702876 0.70 MAPT (0.52) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1
SCHEMBL4207071 0.70 PTGES (0.72) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1
SCHEMBL4207324 0.69 ALDH1A1 (0.62) ALDH1A1CYP1A2KMT2AMEN1CYP2C19
SCHEMBL6277594 0.69 ALDH1A1 (0.64) ALDH1A1CYP1A2KMT2AMEN1CYP2C19
SCHEMBL4197175 0.68 KMT2A (0.67) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1
SCHEMBL5821874 0.67 ALDH1A1 (0.53) ALDH1A1CYP1A2KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 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-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 ALDH1A1 1533/4885CYP1A2 289/4885KMT2A 895/4885

“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.