SCHEMBL3048424

SCHEMBL3048424

c1ccc(Oc2cccc(Nc3nccs3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.60
SCN9A Q15858 4/20 0.52
PLA2G7 Q13093 1/20 0.51
CSNK2A1 P68400 2/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KDR P35968 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
AURKA O14965 1/20 0.46
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL5351410 0.84 ALDH1A1 (0.49) SYKSCN9AMEN1KMT2ANPC1
SCHEMBL10045058 0.84 CYP1A2 (0.67) PLA2G7CYP1A2CYP1A1CYP1B1MEN1
SCHEMBL8906815 0.82 PLA2G7 (0.59) SYKPLA2G7CYP1A2CYP1A1CYP1B1
SCHEMBL3040034 0.81 NPC1 (0.60) SYKSCN9APLA2G7CSNK2A1CYP1A2
SCHEMBL722560 0.81 RAB9A (0.59) PLA2G7CSNK2A1CYP1A2KDRMEN1
Bromide SCHEMBL7502411 0.79 RAB9A (0.57) PLA2G7CSNK2A1CYP1A2KDRMEN1
Hydrochloric Acid SCHEMBL6833454 0.79 RAB9A (0.57) PLA2G7CSNK2A1CYP1A2KDRMEN1
SCHEMBL1135241 0.78 ALDH1A1 (0.52) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL12700595 0.77 ALDH1A1 (0.58) SYKKDRSIRT2SIRT1MEN1
SCHEMBL11896454 0.77 PLA2G7 (0.51) SYKPLA2G7CYP1A2CYP1A1CYP1B1

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 SYK 3473/4885SCN9A 4563/4885PLA2G7 4400/4885

“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.