SCHEMBL6776178

SCHEMBL6776178

O=C1c2cnccc2-c2c1cnc1ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CDC25B P30305 1/20 0.42
NFATC1 O95644 1/20 0.40
DYRK1A Q13627 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTK2B Q14289 2/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GPR3 P46089 1/20 0.37
CYP3A4 P08684 2/20 0.36
CASP1 P29466 2/20 0.36
BLM P54132 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29641696 0.85 KMT2A (0.44) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL459050 0.85 KMT2A (0.44) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL1103721 0.78 MEN1 (0.44) MAOAMAOBCDC25BDYRK1ASMN1; SMN2
SCHEMBL6774511 0.77 MAOA (0.46) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL6775245 0.75 MAOA (0.44) MAOAMAOBCDC25BSLC22A12KDM4E
SCHEMBL6781932 0.74 MAPT (0.40) MAOBSMN1; SMN2MAPTKDM4EGPR3
SCHEMBL421291 0.73 MAOA (1.00) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL29350676 0.73 MAOA (1.00) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL6775253 0.72 MAOA (0.44) MAOAMAOBSLC22A12SMN1; SMN2MAPT
SCHEMBL6926901 0.72 MAOA (0.95) MAOAMAOBCDC25BSMN1; SMN2TP53

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-10907091-B2 Organic compound and electrochromic element CANON KABUSHIKI KAISHA (JP) 2021-02-02 US disclosed
US-20190241798-A1 ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2019-08-08 US disclosed
US-6680326-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2004-01-20 US 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-10907091-B2 Organic compound and electrochromic element H1-2, H1-0, H1-10 MAOA 898/4885MAOB 1031/4885CDC25B 1342/4885
US-20190241798-A1 ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT H1-2, H1-0, H1-10 MAOA 898/4885MAOB 1031/4885CDC25B 1342/4885

“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.