SCHEMBL84394

SCHEMBL84394

NC1=Nc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.65
NOS1 P29475 2/20 0.65
NOS2 P35228 2/20 0.65
SIGMAR1 Q99720 1/20 0.50
TRPA1 O75762 3/20 0.42
CTSD P07339 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
CYP1A2 P05177 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4464203 0.82 NOS1 (0.54) NOS3NOS1NOS2SIGMAR1TRPA1
SCHEMBL2075410 0.79 NOS3 (1.00) NOS3NOS1NOS2SIGMAR1CTSD
SCHEMBL3626217 0.79 NOS3 (0.52) NOS3NOS1NOS2SIGMAR1TRPA1
Hydrochloric Acid SCHEMBL8324907 0.77 NOS3 (0.96) NOS3NOS1NOS2SIGMAR1CTSD
SCHEMBL3616940 0.76 NOS3 (0.48) NOS3NOS1NOS2SIGMAR1TRPA1
SCHEMBL35438 0.76 NOS3 (0.48) NOS3NOS1NOS2SIGMAR1TRPA1
SCHEMBL22983115 0.76 NOS3 (0.77) NOS3NOS1NOS2SIGMAR1CTSD
SCHEMBL5021700 0.75 NOS3 (0.46) NOS3NOS1NOS2SIGMAR1TRPA1
SCHEMBL4465676 0.74 NOS3 (0.47) NOS3NOS1NOS2SIGMAR1TRPA1
SCHEMBL5830588 0.74 NOS3 (0.42) NOS3NOS1NOS2SIGMAR1TRPA1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
JP-55079366-A None JP disclosed
JP-55079365-A None JP disclosed
JP-55133346-A None JP disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11773320-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-03 US disclosed
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2023-09-26 US disclosed
WO-2023155855-A1 APPLICATION OF 2-AMINO-3-INDOLE BUTYRIC ACID IN PROMOTING PLANT GROWTH 南京天秾生物技术有限公司 2023-08-24 WO disclosed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US disclosed
JP-S55133346-A PREPARATION OF LABELED PEPTIDE ASAHI CHEM IND CO LTD 1980-10-17 JP disclosed
JP-S5579365-A PREPARATION OF INDOLE COMPOUND ASAHI CHEM IND CO LTD 1980-06-14 JP disclosed
JP-S5579366-A PREPARATION OF 2-AMINOINDOLENINE ASAHI CHEM IND CO LTD 1980-06-14 JP 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 (7 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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 NOS3 2704/4885NOS1 2977/4885NOS2 2738/4885
US-11773320-B2 Organic electroluminescent materials and devices CCNL2, HCN4, HNRNPL NOS3 742/4885NOS1 1645/4885NOS2 1171/4885
US-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN NOS3 4318/4885NOS1 4432/4885NOS2 4429/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK NOS3 2737/4885NOS1 3668/4885NOS2 3170/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 NOS3 2341/4885NOS1 1468/4885NOS2 2030/4885
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 NOS3 2808/4885NOS1 3559/4885NOS2 3203/4885
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase TAB1, CHUK, TGFBR1 NOS3 1246/4885NOS1 917/4885NOS2 874/4885

“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.