SCHEMBL1702972

SCHEMBL1702972

O=C(CBr)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
RAB9A P51151 2/20 0.64
GAA P10253 1/20 0.64
NPC1 O15118 1/20 0.61
HTT P42858 1/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
KCNMA1 Q12791 1/20 0.55
PHGDH O43175 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL8131351 0.87 MEN1 (0.73) MEN1KMT2ARAB9AGAANPC1
SCHEMBL29505672 0.87 MEN1 (0.73) MEN1KMT2ARAB9AGAANPC1
SCHEMBL9185887 0.87 MEN1 (0.78) MEN1KMT2ARAB9AGAANPC1
SCHEMBL2966042 0.84 ALDH1A1 (0.66) MEN1KMT2ARAB9AGAANPC1
SCHEMBL18765120 0.84 RAB9A (0.71) MEN1KMT2ARAB9AGAANPC1
SCHEMBL29505687 0.84 RAB9A (0.71) MEN1KMT2ARAB9AGAANPC1
SCHEMBL4002217 0.83 MEN1 (0.78) MEN1KMT2ARAB9AGAANPC1
SCHEMBL6114931 0.83 KMT2A (0.78) MEN1KMT2ARAB9AGAANPC1
SCHEMBL14202813 0.83 MEN1 (0.78) MEN1KMT2ARAB9AGAANPC1
SCHEMBL1086054 0.83 KMT2A (0.78) MEN1KMT2ARAB9AGAANPC1

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 11 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-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
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
WO-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 WO disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 US disclosed
WO-2003026666-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, AS SRC KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 MEN1 4680/4885KMT2A 480/4885RAB9A 4543/4885
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 MEN1 4841/4885KMT2A 895/4885RAB9A 4206/4885

“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.