SCHEMBL3036883

SCHEMBL3036883

O=C(Nc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.76
RAB9A P51151 5/20 0.64
NPC1 O15118 5/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 2/20 0.64
PKM P14618 2/20 0.64
ATM Q13315 1/20 0.64
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
HTR2A P28223 1/20 0.54
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
PTPN11 Q06124 1/20 0.51
MAOB P27338 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
SCHEMBL4863345 0.92 ATM (0.69) HTR2CRAB9ANPC1NFKB1NFKB2
SCHEMBL2851575 0.90 RAB9A (0.64) HTR2CRAB9ANPC1NFKB1NFKB2
SCHEMBL8529329 0.87 HTR2C (1.00) HTR2CHTR2A
Hydrochloric Acid SCHEMBL8528788 0.86 HTR2C (0.98) HTR2CSMN1; SMN2HTR2AMAPT
SCHEMBL6640177 0.83 HTR2C (0.66) HTR2CRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4870812 0.82 ATM (0.69) HTR2CRAB9ANPC1NFKB1NFKB2
SCHEMBL2845681 0.82 HTR2C (0.61) HTR2CNPC1ATMALDH1A1MAPT
SCHEMBL853931 0.82 HTR2C (0.57) HTR2CNPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL4870767 0.81 ATM (0.59) HTR2CRAB9ATP53ATMKMT2A
SCHEMBL27888907 0.80 HTR2C (0.58) HTR2CNPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 US disclosed
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
WO-2009016119-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-05 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 HTR2C 4772/4885RAB9A 1701/4885NPC1 1234/4885
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA HTR2C 3945/4885RAB9A 2539/4885NPC1 4463/4885

“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.