SCHEMBL12974166

SCHEMBL12974166

O=C(NI)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
NAPRT Q6XQN6 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
ADORA3 P0DMS8 1/20 0.55
TSHR P16473 1/20 0.55
MC4R P32245 1/20 0.55
ADRA1A P35348 1/20 0.55
MC3R P41968 1/20 0.55
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MCL1 Q07820 1/20 0.51
PABPC1 P11940 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 2/20 0.49
MEN1 O00255 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
SCHEMBL5062627 0.83 KDM4E (0.61) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL1412848 0.81 KDM4E (0.59) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL2310303 0.79 KDM4E (0.59) KDM4ENAPRTHCAR2ADORA3TSHR
Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 0.79 ADORA3 (0.61) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL30586327 0.79 KDM4E (0.59) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL3715797 0.79 KDM4E (0.57) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL27830128 0.79 NPC1 (0.57) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL29132984 0.78 GAA (0.55) KDM4ENAPRTHCAR2ADORA3TSHR
Pyrazine Carboxylic Acid Hydrazide SCHEMBL18038330 0.78 ADORA3 (0.59) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL29516859 0.76 KDM4E (0.65) KDM4ENAPRTHCAR2ADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255009-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME OZCHELA INC (KR) 2019-08-22 US disclosed
US-20190248729-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME Ozchela Inc. (KR) 2019-08-15 US disclosed
WO-2010151797-A2 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2010-12-29 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-20190255009-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME HPN, P4HB, FKBP1B KDM4E 4629/4885NAPRT 919/4885HCAR2 1769/4885
US-20190248729-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME FKBP1B, FKBP8, FKBP2 KDM4E 4277/4885NAPRT 1949/4885HCAR2 2268/4885

“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.