SCHEMBL3787647

SCHEMBL3787647

[c]1ccc(-c2cc3ccccc3o2)c(-c2cc3ccccc3s2)c1SCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GALK1 P51570 1/20 0.32
POLB P06746 1/20 0.31
CCR2 P41597 1/20 0.31
NQO1 P15559 1/20 0.31
NQO2 P16083 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
SCHEMBL324177 0.77 MAOB (0.44) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL5750514 0.75 KDM4E (0.34) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL24245 0.75 APP (0.35) SMN1; SMN2RAB9ANPC1NQO1NQO2
SCHEMBL3049744 0.69 PRKDC (0.47) MAOAMAOBMAPTRAB9ANPC1
SCHEMBL29513414 0.69 PRKDC (0.47) MAOAMAOBMAPTRAB9ANPC1
SCHEMBL28092391 0.69 NQO1 (0.44) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL13229114 0.65 MAOB (0.43) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL30442156 0.65 NPC1 (0.39) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL29710475 0.63 APP (0.54) MAOAMAOBSMN1; SMN2RAB9ANPC1
SCHEMBL21313231 0.63 NPC1 (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A

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-7842677-B2 Synthetic ganglioside derivatives and compositions thereof SENEB BIOSCIENCES, INC. (US) 2010-11-30 US disclosed
US-20050239741-A1 Novel synthetic ganglioside derivatives and compositions thereof LA JOLLA PHARMACEUTICAL COMPANY 2005-10-27 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 (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-20050239741-A1 Novel synthetic ganglioside derivatives and compositions thereof SGMS2, GBA1, SGMS1 MAOA 2285/4885MAOB 1422/4885ALDH1A1 3685/4885

“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.