SCHEMBL3043554

SCHEMBL3043554

CC(C)=CCOc1cccc(Nc2nc(C)cs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
RAB9A P51151 7/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
CLK1 P49759 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
GCK P35557 6/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL3049538 0.83 SMN1; SMN2 (0.58) GAARAB9AKMT2AMEN1NPC1
SCHEMBL3038140 0.81 SMN1; SMN2 (0.47) GAARAB9AKMT2AMEN1NPC1
SCHEMBL13138537 0.77 EGFR (0.47) KMT2AMEN1PKMMAPK1ALDH1A1
SCHEMBL3049195 0.73 KMT2A (0.66) GAARAB9AKMT2AMEN1NPC1
SCHEMBL12879334 0.72 LMNA (0.49) GAAKMT2ATDP1ALDH1A1
SCHEMBL17138214 0.72 KDM4E (0.51) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL6795586 0.71 GAA (0.68) GAARAB9AKMT2AMEN1NPC1
SCHEMBL4548018 0.69 GAA (1.00) GAARAB9AKMT2AMEN1NPC1
SCHEMBL14433270 0.69 GAA (0.68) GAARAB9AKMT2AMEN1NPC1
SCHEMBL8927263 0.68 L3MBTL1 (0.36) GAARAB9AKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 GAA 4635/4885RAB9A 2094/4885KMT2A 2381/4885

“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.