SCHEMBL3038079

SCHEMBL3038079

Cc1ccc(Nc2nccs2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.65
NPC1 O15118 1/20 0.43
PPARG P37231 1/20 0.43
RAB9A P51151 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDR P35968 7/20 0.43
EGFR P00533 5/20 0.43
PPIA P62937 2/20 0.43
PKM P14618 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
RET P07949 1/20 0.41
KIF5B P33176 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 2/20 0.40
AGER Q15109 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL20529581 0.85 PLA2G7 (0.70) PLA2G7NPC1PPARGRAB9ANCOR2
SCHEMBL3529574 0.81 PLA2G7 (0.65) PLA2G7NPC1PPARGRAB9ANCOR2
SCHEMBL14669893 0.81 PLA2G7 (0.65) PLA2G7NPC1PPARGRAB9ANCOR2
SCHEMBL3044208 0.81 MAPT (0.52) PLA2G7NPC1RAB9AKDREGFR
SCHEMBL3048427 0.81 PLA2G7 (0.50) PLA2G7NPC1RAB9AKDRPKM
SCHEMBL3034620 0.81 PLA2G7 (0.50) PLA2G7PKMMEN1KMT2AADORA2A
SCHEMBL3049191 0.81 SMN1; SMN2 (0.53) PLA2G7NPC1RAB9AKDRPKM
SCHEMBL3047117 0.79 PLA2G7 (0.48) PLA2G7NPC1RAB9AKDRPKM
SCHEMBL3529772 0.78 PLA2G7 (0.61) PLA2G7NPC1PPARGRAB9ANCOR2
SCHEMBL3038930 0.78 PLA2G7 (0.47) PLA2G7NPC1RAB9AMEN1KMT2A

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 PLA2G7 4400/4885NPC1 769/4885PPARG 1721/4885

“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.