SCHEMBL7478482

SCHEMBL7478482

O=c1nccnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
TDP1 Q9NUW8 6/20 0.64
KDM4E B2RXH2 6/20 0.64
PDE10A Q9Y233 1/20 0.57
MAPT P10636 9/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 4/20 0.55
MITF O75030 1/20 0.55
POLB P06746 1/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NOS1 P29475 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL29800698 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL22120229 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL4642926 0.78 MEN1 (0.67) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL317836 0.78 KMT2A (1.00) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL31067265 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL6538214 0.78 MAPT (0.77) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL5260391 0.77 PDE10A (0.62) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL6537575 0.76 KDM4E (0.63) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL9364397 0.76 MEN1 (0.63) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL7571608 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
EP-2892344-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed
US-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
US-5270464-A Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-14 US disclosed
EP-0538297-A1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-28 EP disclosed
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 EP disclosed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 EP 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 ALDH1A1 469/4885MEN1 4596/4885KMT2A 2207/4885

“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.