SCHEMBL3049191

SCHEMBL3049191

COc1ccc(Nc2nccs2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 2/20 0.53
LMNA P02545 4/20 0.50
PLA2G7 Q13093 1/20 0.50
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
KDR P35968 1/20 0.49
KCNMA1 Q12791 1/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL15928745 0.83 MEN1 (0.53) SMN1; SMN2RAB9AMAPK1MEN1KMT2A
SCHEMBL3038079 0.81 PLA2G7 (0.65) RAB9AMEN1KMT2APKMPLA2G7
SCHEMBL3051288 0.78 ALDH1A1 (0.49) SMN1; SMN2RAB9AMAPK1MEN1KMT2A
SCHEMBL3044208 0.78 MAPT (0.52) SMN1; SMN2RAB9AMAPK1MEN1KMT2A
SCHEMBL3034620 0.77 PLA2G7 (0.50) SMN1; SMN2MEN1KMT2APKMPLA2G7
SCHEMBL3048427 0.77 PLA2G7 (0.50) SMN1; SMN2RAB9AMEN1KMT2APKM
SCHEMBL3045435 0.76 GAA (0.55) SMN1; SMN2RAB9AMAPK1MEN1KMT2A
SCHEMBL899315 0.75 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AMAPK1MEN1KMT2A
SCHEMBL3047117 0.75 PLA2G7 (0.48) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL3038930 0.74 PLA2G7 (0.47) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1

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 7 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 claimed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US claimed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN 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 SMN1; SMN2 3800/4885RAB9A 2094/4885MAPK1 3668/4885

“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.