SCHEMBL16300950

SCHEMBL16300950

COc1ccc(-c2scnc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
VHL P40337 1/20 0.48
PTGS2 P35354 3/20 0.46
CLK4 Q9HAZ1 1/20 0.44
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
APP P05067 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL22502691 0.84 VHL (0.47) ALOX5VHLALDH1A1MAPTKDM4E
SCHEMBL926052 0.81 ALDH1A1 (0.50) PTGS2CLK4ALDH1A1MAPTKDM4E
SCHEMBL19661678 0.80 VHL (0.53) ALOX5VHLPTGS2ALDH1A1MAPT
SCHEMBL8040677 0.80 DYRK1A (0.51) VHLCLK4DYRK1AALDH1A1MAPT
SCHEMBL2088457 0.77 PTGS2 (0.42) ALOX5PTGS2CLK4ALDH1A1MAPT
SCHEMBL19600685 0.77 VHL (0.54) VHLPTGS2MAPTKDM4EAPP
SCHEMBL22130274 0.77 VHL (0.50) VHLALDH1A1MAPTKDM4EAPP
SCHEMBL679793 0.76 KDM4E (0.53) ALOX5VHLALDH1A1MAPTKDM4E
SCHEMBL24514326 0.76 VHL (0.43) VHL
SCHEMBL22367522 0.76 VHL (0.43) VHL

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
WO-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B ALOX5 1080/4885VHL 375/4885PTGS2 505/4885

“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.