SCHEMBL18237643

SCHEMBL18237643

CC(C)c1nccc2c1NC(=O)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
CYP19A1 P11511 4/20 0.36
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP1A2 P05177 2/20 0.35
KIF11 P52732 2/20 0.35
CRBN Q96SW2 4/20 0.33
KDM5B Q9UGL1 1/20 0.33
CA9 Q16790 1/20 0.33
TBXAS1 P24557 2/20 0.32
CYP2C9 P11712 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4B Q07343 1/20 0.32
MAOA P21397 1/20 0.31

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
SCHEMBL18238958 0.85 AHR (0.41) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL14494366 0.78 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL24835436 0.74 NPC1 (0.36) PDE3BPDE3ACYP11B1CYP11B2NPC1
SCHEMBL18237550 0.73 SRC (0.35)
SCHEMBL26195457 0.71 HTR2A (0.32) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL8919465 0.70 NPC1 (0.46) CYP11B1CYP11B2CYP19A1NPC1MAPK13
SCHEMBL16746089 0.69 NPC1 (0.37) CYP11B1CYP11B2CYP19A1NPC1MAPK13
SCHEMBL18237943 0.68
SCHEMBL18237842 0.68 PARP10 (0.39)
SCHEMBL18238926 0.68 HDAC1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885CYP11B1 4104/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885CYP11B1 4104/4885

“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.