SCHEMBL7122768

SCHEMBL7122768

N=C(Cc1ccccc1)NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
GAA P10253 3/20 0.44
NOS1 P29475 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
KDM1A O60341 1/20 0.41
CYP1A2 P05177 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
Hydroxyamine SCHEMBL7974827 0.80 KMT2A (0.52) IDO1CES2CES1AKR1B1GAA
SCHEMBL23891955 0.80 LOXL2 (0.48) NOS1HDAC6NOS3NOS2TAAR1
SCHEMBL434982 0.79 HDAC8 (0.56) IDO1CES2CES1AKR1B1GAA
SCHEMBL12875618 0.78 IDO1 (0.47) IDO1GAAKMT2AMEN1MAPT
SCHEMBL2643808 0.77 CES1 (0.44) IDO1CES2CES1AKR1B1NOS1
SCHEMBL24027026 0.77 CES2 (0.44) IDO1CES2CES1AKR1B1NOS1
SCHEMBL6831173 0.76 ALDH1A1 (0.54) IDO1GAAKMT2AMEN1MAPT
SCHEMBL10945140 0.76 EPHX2 (0.59) CES2CES1AKR1B1GAAKMT2A
Hydrochloric Acid SCHEMBL4737686 0.74 ALDH1A1 (0.52) IDO1GAAKMT2AMEN1CYP3A4
SCHEMBL1238345 0.73 HTR3E (0.57) IDO1CES2CES1AKR1B1GAA

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
WO-2022005898-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2022-01-06 WO disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-6667356-B2 Including an n-amidinobenzamide derivative; heat aging resistance BRIDGESTONE CORPORATION (JP) 2003-12-23 US disclosed
US-20030134947-A1 Containing imine, amidine or guanidine antioxidants to improve heat aging resistance; may be substituted by acyl, thioacyl or additional imine groups BRIDGESTONE CORPORATION, OTSUKA CHEMICAL CO., LTD. 2003-07-17 US disclosed
US-6515055-B1 Excellent in heat aging resistance due to addition of compounds exemplified by N'-(N-benzoylamidino) benzoic acid hydrazide BRIDGESTONE CORPORATION (JP) 2003-02-04 US disclosed
EP-1101793-A1 Heat ageing resistant rubber composition Bridgestone Corporation (JP) 2001-05-23 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 (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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS IDO1 1066/4885CES2 337/4885CES1 2714/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS IDO1 1066/4885CES2 337/4885CES1 2714/4885

“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.