SCHEMBL22036738

SCHEMBL22036738

O=c1c2ccccc2sc2c1c1c3ccccc3c3cccc2n31

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
HCRTR1 O43613 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL19978067 0.79 TNKS (0.39) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL17405244 0.73 GPR3 (0.39) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL24570763 0.73 HTT (0.46) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL19978064 0.73 TNKS (0.36) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL21453480 0.72 GPR3 (0.36) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL19890696 0.72 GPR3 (0.42) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL23487255 0.72 GPR3 (0.33) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL12270367 0.71 GPR3 (0.31)
SCHEMBL21453477 0.71 GPR3 (0.41) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL29861263 0.70 ALDH1A1 (0.53) MAPTALDH1A1POLBHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 MAOA 952/4885MAOB 1576/4885MAPT 2751/4885
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices ETV6, CYP2J2, CYP2D6 MAOA 952/4885MAOB 1576/4885MAPT 2751/4885

“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.