SCHEMBL3899701

SCHEMBL3899701

O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.47
ADRA2A P08913 1/20 0.45
PNMT P11086 1/20 0.45
GPR35 Q9HC97 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL10180113 0.81 ADRA2A (0.44) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL3920383 0.81 ALDH1A1 (0.50) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL3925257 0.81 HTR1D (0.44) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL12920004 0.81 ALDH1A1 (0.46) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL14159974 0.81 LMNA (0.46) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL768764 0.81 ALDH1A1 (0.54) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL3506059 0.81 ALDH1A1 (0.48) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL9470708 0.78 MAPT (0.43) CTSLALDH1A1MAPTADRA2APNMT
SCHEMBL30288495 0.76 CA2 (0.51) ALDH1A1MAPTADRA2APNMTTDP1
SCHEMBL376278 0.74 PNMT (0.47) ALDH1A1MAPTPNMTGPR35TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377548-B1 PROCESS FOR NITRATING PHOTOCLEAVABLE COMPOUNDS MEDICAL RES COUNCIL (GB) 2009-02-18 EP disclosed
EP-1161418-B1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RES COUNCIL (GB) 2005-12-28 EP disclosed
US-20040171846-A1 Process for nitrating photocleavable compounds MEDICAL RESEARCH COUNCIL (GB) 2004-09-02 US disclosed
US-6765014-B1 DRUG DELIVERY OF NEUROACTIVE AMINO ACIDS OR METAL CHELATORS MEDICAL RESEARCH COUNCIL (GB) 2004-07-20 US disclosed
EP-1377548-A1 PROCESS FOR NITRATING PHOTOCLEAVABLE COMPOUNDS MEDICAL RESEARCH COUNCIL (GB) 2004-01-07 EP disclosed
WO-2002083639-A1 PROCESS FOR NITRATING PHOTOCLEAVABLE COMPOUNDS MEDICAL RESEARCH COUNCIL (GB) 2002-10-24 WO disclosed
EP-1161418-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2001-12-12 EP disclosed
WO-2000055133-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2000-09-21 WO disclosed
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 EP disclosed
US-4159271-A CYCLIZATION OF A 2-HALOGENOPHENETHYLAMINE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-06-26 US 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-20040171846-A1 Process for nitrating photocleavable compounds NOS2, SOD1, NIT2 CTSL 4351/4885ALDH1A1 175/4885MAPT 3106/4885

“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.