SCHEMBL6606508

SCHEMBL6606508

C#CN(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 4/20 0.39
LMNA P02545 3/20 0.39
MAOA P21397 3/20 0.39
PYCR1 P32322 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL28663549 0.93 PYCR1 (0.43) MEN1KMT2AHTTMAOBLMNA
Pyridine SCHEMBL2890264 0.87 KMT2A (0.41) MEN1KMT2AHTTMAOBLMNA
SCHEMBL28260797 0.86 PYCR1 (0.46) PYCR1USP2CYP3A4ALDH1A1MAPT
SCHEMBL16573868 0.77 RAB9A (0.41) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL18803298 0.75 AOC3 (0.43)
SCHEMBL28672312 0.75 PYCR1 (0.42) MAOBLMNAMAOAPYCR1TSHR
SCHEMBL4512814 0.74 MEN1 (0.42) MEN1KMT2AHTTLMNATSHR
SCHEMBL3252000 0.74 MEN1 (0.42) MEN1KMT2AHTTLMNATSHR
SCHEMBL209159 0.74 KMT2A (0.48) MEN1KMT2AHTTLMNATSHR
SCHEMBL1344357 0.74 KMT2A (0.42) MEN1KMT2AHTTMAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246619-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP claimed
EP-0335676-B1 Developer for developing electrostatic image and image forming method CANON KK (JP) 1996-01-03 EP claimed
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP claimed
US-8633337-B2 Method and synthesis GE HEALTHCARE LIMITED (GB) 2014-01-21 US disclosed
US-20130060064-A1 METHOD AND SYNTHESIS GE HEALTHCARE LIMITED (GB) 2013-03-07 US disclosed
EP-0383621-A1 Diphenyldiacetylene derivative TODA KOGYO CORP. (JP) 1990-08-22 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 (1 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-20130060064-A1 METHOD AND SYNTHESIS RNMT, GMPS, GDA MEN1 677/4885KMT2A 1980/4885HTT 350/4885

“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.