SCHEMBL3466003

SCHEMBL3466003

O=C(CBr)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.67
RAB9A P51151 8/20 0.66
MAPT P10636 7/20 0.66
NPC1 O15118 7/20 0.66
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HTT P42858 5/20 0.62
ALDH1A1 P00352 5/20 0.62
NPY1R P25929 1/20 0.60
ATG4B Q9Y4P1 5/20 0.59
ALPL P05186 3/20 0.58
ALPI P09923 2/20 0.58
ALPG P10696 2/20 0.58
CASP6 P55212 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NSD2 O96028 1/20 0.58
CASP7 P55210 1/20 0.58
CASP8 Q14790 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL881339 0.85 LMNA (0.84) LMNARAB9AMAPTNPC1MEN1
SCHEMBL18424530 0.85 ATG4B (0.69) LMNARAB9AMAPTNPC1MEN1
SCHEMBL5836289 0.82 LMNA (0.85) LMNARAB9AMAPTNPC1MEN1
SCHEMBL14906480 0.81 LMNA (0.74) LMNARAB9AMAPTNPC1MEN1
SCHEMBL1395039 0.80 LMNA (1.00) LMNARAB9AMAPTNPC1MEN1
SCHEMBL375490 0.80 LMNA (0.76) LMNARAB9AMAPTNPC1MEN1
Nithiamide SCHEMBL158858 0.80 NPC1 (0.63) LMNARAB9AMAPTNPC1MEN1
SCHEMBL1896161 0.80 NPC1 (0.61) LMNARAB9AMAPTNPC1MEN1
SCHEMBL13694246 0.79 MEN1 (0.77) LMNARAB9AMAPTNPC1MEN1
Hydrochloric Acid SCHEMBL28533675 0.79 LMNA (0.74) LMNARAB9AMAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140460-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2020-05-07 US disclosed
US-10570152-B2 Antibacterial therapeutics and prophylactics VYOME THERAPEUTICS LIMITED (IN) 2020-02-25 US disclosed
US-20180265523-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME THERAPEUTICS LIMITED (IN) 2018-09-20 US disclosed
EP-3328856-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS Vyome Biosciences Pvt. Ltd. (IN) 2018-06-06 EP disclosed
WO-2017017631-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2017-02-02 WO disclosed
WO-2017017631-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2017-02-02 WO disclosed
US-7678791-B2 Nitroheteroaryl-containing rifamycin derivatives CUMBRE IP VENTURES, L.P. (US) 2010-03-16 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 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 (4 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-20180265523-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS CLPP, CFTR, ELANE LMNA 3689/4885RAB9A 1807/4885MAPT 3826/4885
US-20200140460-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS CLPP, CFTR, ELANE LMNA 3689/4885RAB9A 1807/4885MAPT 3826/4885
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 LMNA 2973/4885RAB9A 973/4885MAPT 2006/4885
US-10570152-B2 Antibacterial therapeutics and prophylactics CLPP, CFTR, ELANE LMNA 3689/4885RAB9A 1807/4885MAPT 3826/4885

“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.