SCHEMBL3609938

SCHEMBL3609938

OC(=S)Nc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
GAA P10253 4/20 0.60
RAB9A P51151 4/20 0.59
CYP3A4 P08684 3/20 0.59
NPC1 O15118 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL1275812 0.85 KMT2A (0.72) KDM4EGAARAB9ANPC1ALDH1A1
SCHEMBL260429 0.82 KDM4E (0.71) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL3609936 0.82 KDM4E (0.63) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL28294641 0.82 KMT2A (0.58) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL4500674 0.82 KDM4E (0.58) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL29522175 0.82 KDM4E (0.71) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL31206215 0.81 KMT2A (0.77) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL8956204 0.81 KMT2A (0.77) KDM4EGAARAB9ACYP3A4NPC1
SCHEMBL9724986 0.80 KDM4E (0.67) KDM4EGAARAB9ACYP3A4NPC1
Hydrazine SCHEMBL28848708 0.80 KDM4E (0.69) KDM4EGAARAB9ACYP3A4NPC1

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-0559569-A1 Central nervous system antiischemic agents Bristol-Myers Squibb Company (US) 1993-09-08 EP 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 KDM4E 3503/4885GAA 3626/4885RAB9A 709/4885

“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.