Sugi Predict

Sugi Predict / Compounds / SCHEMBL2488772

SCHEMBL2488772

SCHEMBL2488772

CC1(C)c2ccccc2N2c3ccccc3Sc3cccc1c32

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ NOX1 Q9Y5S8 2/20 0.41
▸ BCHE P06276 8/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL12281545 0.91 MAOA (0.41) MAOANOX1BCHEKMT2APTGS1
SCHEMBL13353446 0.84 HDAC6 (0.37) MAOANOX1BCHEKMT2ACYP1A2
SCHEMBL12333548 0.84 BCHE (0.38) MAOANOX1BCHEKMT2ACYP1A2
SCHEMBL2483549 0.83 MAOA (0.37) MAOANOX1BCHEKMT2ACYP1A2
SCHEMBL12333549 0.83 MAOA (0.37) MAOANOX1BCHEKMT2ACYP1A2
SCHEMBL12333544 0.82 KMT2A (0.43) KMT2ACYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL12165686 0.82 KMT2A (0.41) MAOANOX1KMT2ACYP1A2CYP2D6
SCHEMBL15434752 0.81 KMT2A (0.42) KMT2ACYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL20549019 0.80 KDM1A (0.42) MAOABCHEKMT2ACYP1A2CYP2D6
SCHEMBL16890747 0.79 HDAC6 (0.34) MAOANOX1BCHEHDAC6

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
US-11264575-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2022-03-01 — — US disclosed
US-10008673-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2018-06-26 — — US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — US disclosed
WO-2011107186-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-09 — — 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 (4 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-11264575-B2 Compounds for electronic devices CYP2C19, CYP2C18, CYP1B1 MAOA 654/4885NOX1 236/4885BCHE 2116/4885
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 MAOA 457/4885NOX1 247/4885BCHE 1391/4885
US-10008673-B2 Compounds for electronic devices CYP1B1, CYP1A1, CYP2E1 MAOA 457/4885NOX1 247/4885BCHE 1391/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 MAOA 457/4885NOX1 247/4885BCHE 1391/4885

“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.