SCHEMBL6797845

SCHEMBL6797845

O=[N+]([O-])c1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
PTPRC P08575 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
GUSB P08236 1/20 0.51
ELANE P08246 1/20 0.51
ALOX5 P09917 1/20 0.49

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
SCHEMBL11522136 0.84 APP (0.47) NPC1MEN1KMT2APOLBPTPRC
SCHEMBL347363 0.83 CA12 (0.54) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL4504780 0.82 PDE4D (0.50) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL4517846 0.81 ALDH1A1 (0.45) NPC1MEN1KMT2APOLBPTPRC
SCHEMBL6393406 0.80 PTPRC (0.65) MEN1KMT2APTPRCALDH1A1MAPT
SCHEMBL31619721 0.80 MAPT (0.55) MEN1KMT2APTPRCALDH1A1MAPT
SCHEMBL8051514 0.79 ALDH1A1 (0.67) NPC1MEN1KMT2APOLBPTPRC
SCHEMBL3275990 0.78 TDP1 (0.56) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL28240818 0.78 TDP1 (0.60) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8711545 0.78 ALDH1A1 (0.60) NPC1MEN1KMT2APTPRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265147-B Method for preparing biaryl UNIV SHANGHAI JIAOTONG 2011-05-11 CN disclosed
CN-101265147-A Method for preparing biaryl UNIV SHANGHAI JIAOTONG (CN) 2008-09-17 CN disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
EP-0349219-A1 1,2,4,5-benzoylenebis(naphtho[1,8-de]pyrimidine) compounds and their use SHARP KABUSHIKI KAISHA (JP) 1990-01-03 EP 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NPC1 875/4885MEN1 2703/4885KMT2A 968/4885

“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.