SCHEMBL13178570

SCHEMBL13178570

CCc1nccc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.57
PDE3A Q14432 5/20 0.57
TRPA1 O75762 2/20 0.41
DRD1 P21728 4/20 0.39
NUDT1 P36639 1/20 0.36
PRKCI P41743 2/20 0.36
AXL P30530 1/20 0.36
BRD4 O60885 1/20 0.36
PIK3CD O00329 1/20 0.36
CCNK O75909 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
AHR P35869 1/20 0.34

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
SCHEMBL15058190 0.81 TRPA1 (0.41) PDE3BPDE3ATRPA1DRD1PRKCI
SCHEMBL31409617 0.81 TRPA1 (0.45) PDE3BPDE3ATRPA1DRD1NUDT1
SCHEMBL18584885 0.81 PDE3B (0.57) PDE3BPDE3ATRPA1DRD1NUDT1
Hydrochloric Acid SCHEMBL30647259 0.79 PDE3B (0.56) PDE3BPDE3ATRPA1DRD1NUDT1
SCHEMBL18238493 0.75 PDE3B (0.47) PDE3BPDE3A
SCHEMBL14062157 0.74 NUDT1 (0.40) PDE3BPDE3ATRPA1DRD1NUDT1
SCHEMBL4550230 0.74 PDE3B (0.58) PDE3BPDE3ATRPA1DRD1PRKCI
SCHEMBL10810746 0.73 PDE3B (1.00) PDE3BPDE3A
SCHEMBL18238030 0.72 PDE3B (0.51) PDE3BPDE3ADRD1AXL
SCHEMBL21388648 0.72 PDE3B (0.33) PDE3BPDE3ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 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 (2 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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 PDE3B 4632/4885PDE3A 4690/4885TRPA1 4214/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 PDE3B 4711/4885PDE3A 4737/4885TRPA1 2955/4885

“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.