SCHEMBL4731192

SCHEMBL4731192

N=C(NO)c1ccc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.36
MT-CO1 P00395 1/20 0.35
MT-CO2 P00403 1/20 0.35
EDNRA P25101 1/20 0.35
OPRM1 P35372 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
ALDH1A1 P00352 2/20 0.33
APLNR P35414 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32
HTR1F P30939 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL6615623 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1442910 0.75 PRMT1 (0.45) P4HTMMT-CO1MT-CO2EDNRAOPRM1
Hydrochloric Acid SCHEMBL17893734 0.73 PRMT1 (0.44) P4HTMMT-CO1MT-CO2EDNRAOPRM1
SCHEMBL22583342 0.73 P4HTM (0.40) P4HTMHDAC3HDAC1HDAC2HDAC6
SCHEMBL17394904 0.72 HDAC3 (0.30) HDAC3HDAC1HDAC6
SCHEMBL14061768 0.72 GRM5 (0.55)
SCHEMBL22396435 0.72 P4HTM (0.63) P4HTMALDH1A1NPC1RAB9AKDM4E
SCHEMBL30449388 0.68 P4HTM (0.59) P4HTMALDH1A1SMN1; SMN2KDM4E
SCHEMBL15440496 0.68 P4HTM (0.42) P4HTMALDH1A1APLNRNPC1GAA
SCHEMBL17447442 0.68 P4HTM (0.42) P4HTMALDH1A1APLNRNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054284-A1 A NEW PROCESS FOR THE PRODUCTION OF 5-FLUORO-PYRIDINE-2- CARBONITRILE AND 5-FLUORO-N-HYDROXY-PYRIDINE-2- CARBOXAMIDINE. ASTRAZENECA AB (SE) 2008-05-08 WO claimed
US-20250026743-A1 HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2025-01-23 US disclosed
CN-118251390-A Heteroaryl linked analogs as MGLU5 negative allosteric modulators and methods of making and using the same 范德比尔特大学 2024-06-25 CN disclosed
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2008054284-A1 A NEW PROCESS FOR THE PRODUCTION OF 5-FLUORO-PYRIDINE-2- CARBONITRILE AND 5-FLUORO-N-HYDROXY-PYRIDINE-2- CARBOXAMIDINE. ASTRAZENECA AB (SE) 2008-05-08 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-20250026743-A1 HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 P4HTM 3235/4885MT-CO1 2747/4885MT-CO2 2832/4885
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS GRM5, GRM1, GRM2 P4HTM 2136/4885MT-CO1 1581/4885MT-CO2 1874/4885

“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.