SCHEMBL1921324

SCHEMBL1921324

O=[N+]([O-])c1ccc(Cn2ncc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.65
P2RX4 Q99571 1/20 0.51
GLS O94925 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CFTR P13569 1/20 0.45
KMO O15229 1/20 0.44
PTK2 Q05397 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
CYP19A1 P11511 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL11002083 0.86 GLS (0.67) RECQLP2RX4GLSKMT2AMEN1
SCHEMBL1728790 0.83 GLS (0.64) RECQLGLSALDH1A1MAPTCFTR
SCHEMBL20775125 0.83 RECQL (0.57) RECQLGLSCFTRACHECNR2
SCHEMBL30346162 0.80 RECQL (1.00) RECQLKMT2AMEN1ALDH1A1KMO
SCHEMBL248214 0.80 RECQL (1.00) RECQLKMT2AMEN1ALDH1A1KMO
SCHEMBL531900 0.79 RECQL (0.52) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL5430669 0.79 RECQL (0.84) RECQLKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5435879 0.79 GLS (0.61) RECQLGLSKMT2AACHECNR2
SCHEMBL1135534 0.79 RECQL (0.77) RECQLKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8156564 0.77 GLS (0.56) RECQLGLSADORA2AADORA1ALDH1A1

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
CN-103958466-A Nitrogen-containing heterocyclic compounds as CRTH2 antagonists KBP BIOSCIENCES CO LTD 2014-07-30 CN disclosed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (3 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RECQL 2113/4885P2RX4 1224/4885GLS 2693/4885
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 RECQL 524/4885P2RX4 1279/4885GLS 3154/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RECQL 2113/4885P2RX4 1224/4885GLS 2693/4885

“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.