SCHEMBL1702962

SCHEMBL1702962

O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ HSD17B10 Q99714 1/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HTT P42858 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ POLB P06746 1/20 0.48

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
SCHEMBL6277594 0.85 ALDH1A1 (0.64) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL6274384 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL1702494 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL1702862 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL13547708 0.83 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL6278534 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL1703004 0.82 ALDH1A1 (0.52) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL6279104 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL1755253 0.81 TP53 (0.65) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL6274361 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017479-B2 Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV ROSOCHA GREGORY (CA) 2018-07-10 — — US disclosed
US-10017479-B2 Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV ROSOCHA GREGORY (CA) 2018-07-10 — — US disclosed
US-10017479-B2 Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV ROSOCHA GREGORY (CA) 2018-07-10 — — US disclosed
US-20160130238-A1 New Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV ROSOCHA GREGORY (CA) 2016-05-12 — — US disclosed
US-20160130238-A1 New Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV ROSOCHA GREGORY (CA) 2016-05-12 — — US disclosed
WO-2015015240-A1 NEW PROCESS TO MAKE NON-NUCLEOSIDAL REVERSE TRANSCRIPTASE INHIBITORS (NNRTI) FOR THE TREATMENT OF HIV ROSOCHA GREGORY (CA) 2015-02-05 — — WO disclosed
WO-2015015240-A1 NEW PROCESS TO MAKE NON-NUCLEOSIDAL REVERSE TRANSCRIPTASE INHIBITORS (NNRTI) FOR THE TREATMENT OF HIV ROSOCHA GREGORY (CA) 2015-02-05 — — WO disclosed
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
CN-1720043-A Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INT (DE) 2006-01-11 — — CN disclosed
WO-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 — — WO disclosed
EP-1569919-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-09-07 — — EP disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 — — US disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 — — US disclosed
WO-2004050643-A3 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2004-09-10 — — WO disclosed
WO-2004050643-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-06-17 — — WO 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 (2 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-10017479-B2 Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV DNTT, NNMT, PNP ALDH1A1 1878/4885CYP1A2 945/4885MEN1 4680/4885
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 ALDH1A1 1533/4885CYP1A2 289/4885MEN1 4841/4885

“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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