SCHEMBL3644792

SCHEMBL3644792

[CH]1CC=CC=C1Sc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A4 P31645 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
SCHEMBL6267626 0.81 MEN1 (0.33) MAPTSMN1; SMN2
SCHEMBL7058798 0.73 EHMT2 (0.42) MAPTHPGD
SCHEMBL2458873 0.72 POLB (0.39) MAOAMAOBSMN1; SMN2HSD17B10SLC6A4
SCHEMBL23865031 0.71 CXCL12 (0.32) MAOAMAOBMAPTHPGDSMN1; SMN2
SCHEMBL2562634 0.67
SCHEMBL13476262 0.65 HPGD (0.33) MAOAMAOBMAPTHPGDSMN1; SMN2
SCHEMBL15526665 0.64 MAPT (0.32) MAOAMAOBMAPTHPGDSMN1; SMN2
SCHEMBL6041001 0.64 ALDH1A1 (0.35) MAPT
Diphenylsulfane SCHEMBL452 0.64 HPGD (0.60) MAOAMAOBMAPTHPGDSMN1; SMN2
Diphenylsulfane SCHEMBL28332331 0.64 HPGD (0.60) MAOAMAOBMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
WO-2012087630-A1 PYRIDINE AND PYRIMIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
EP-2182945-A1 ANIMAL PEST CONTROL METHOD E. I. Du Pont de Nemours and Company (US) 2010-05-12 EP disclosed
WO-2009003075-A1 ANIMAL PEST CONTROL METHOD E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 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 (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-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR MAOA 62/4885MAOB 61/4885MAPT 2964/4885

“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.