SCHEMBL1827672

SCHEMBL1827672

NC(Cc1ccc([N+](=O)[O-])cc1)=NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ MAPT P10636 6/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ HTT P42858 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ POLB P06746 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ IDO1 P14902 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL12402233 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL4833795 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL11879770 0.98 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL1817934 0.80 TSHR (0.54) ALDH1A1MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL1817933 0.80 TSHR (0.54) ALDH1A1MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL2673969 0.79 LOXL2 (0.59) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL10916926 0.79 CYP2C19 (0.58) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL10916929 0.79 CYP2C19 (0.58) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL4237740 0.79 CYP2C19 (0.61) ALDH1A1MAPTKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL10915423 0.78 CYP2C19 (0.56) ALDH1A1MAPTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 — — EP disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 — — US disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 — — WO disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 — — US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 — — US disclosed
EP-1339710-B1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2006-03-01 — — EP disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — US disclosed
US-6930118-B2 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2005-08-16 — — US disclosed
EP-1339710-A4 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2004-05-12 — — EP disclosed
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2004-02-19 — — US disclosed
EP-1339710-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES Amrad Operations Pty.,Ltd. (AU) 2003-09-03 — — EP disclosed
WO-2002036590-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2002-05-10 — — 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 (5 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-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives CNR1, CNR2, OPRK1 ALDH1A1 497/4885MAPT 3955/4885KMT2A 2930/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885MAPT 3203/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885MAPT 3203/4885KMT2A 1653/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 ALDH1A1 928/4885MAPT 4079/4885KMT2A 657/4885
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 ALDH1A1 2439/4885MAPT 1118/4885KMT2A 2065/4885

“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.

Send feedback