SCHEMBL14758482

SCHEMBL14758482

CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.77
KMT2A Q03164 8/20 0.77
NPSR1 Q6W5P4 5/20 0.77
GAA P10253 4/20 0.77
HTT P42858 4/20 0.77
NPC1 O15118 4/20 0.77
TSHR P16473 3/20 0.77
USP2 O75604 2/20 0.77
CASP1 P29466 2/20 0.77
CASP7 P55210 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2D6 P10635 2/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
BRCA1 P38398 1/20 0.77
HBB P68871 1/20 0.77
MAPT P10636 7/20 0.64
LMNA P02545 5/20 0.64

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
SCHEMBL4326101 0.87 KMT2A (1.00) MEN1KMT2ANPSR1GAAHTT
SCHEMBL4331607 0.87 MEN1 (0.79) MEN1KMT2ANPSR1GAAHTT
SCHEMBL6422466 0.83 MEN1 (0.63) MEN1KMT2ANPSR1GAAHTT
SCHEMBL14478993 0.82 GRK6 (0.69) MEN1KMT2ANPSR1GAAHTT
SCHEMBL82135 0.82 MEN1 (0.52) MEN1KMT2ANPSR1GAAHTT
SCHEMBL16217134 0.80 MEN1 (0.72) MEN1KMT2ANPSR1GAAHTT
SCHEMBL4335448 0.80 MEN1 (0.76) MEN1KMT2ANPSR1GAANPC1
SCHEMBL4331766 0.80 MEN1 (0.83) MEN1KMT2ANPSR1GAAHTT
SCHEMBL6422443 0.79 MEN1 (0.61) MEN1KMT2ANPSR1GAAHTT
SCHEMBL30628026 0.78 KMT2A (1.00) MEN1KMT2ANPSR1GAAHTT

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-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 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-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE UBE3A, NEDD4, ADRM1 MEN1 3691/4885KMT2A 2646/4885NPSR1 754/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 MEN1 4510/4885KMT2A 4582/4885NPSR1 299/4885

“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.