SCHEMBL10150285

SCHEMBL10150285

CC1CCc2c(nc(-c3ccccc3OC(=O)C(C)(C)C)nc2N2CCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HIF1A Q16665 3/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TSHR P16473 3/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
GLA P06280 1/20 0.34
ELANE P08246 2/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL12527275 0.91 CYP1A2 (0.43) TSHRLMNAALDH1A1MAPTHSD17B10
SCHEMBL10150238 0.80 CYP1A2 (0.45) TSHRLMNAALDH1A1MAPT
SCHEMBL10150296 0.80 SMAD3 (0.52) KMT2AMEN1HIF1ATSHRLMNA
SCHEMBL10150291 0.80 SMAD3 (0.52) KMT2AMEN1HIF1ATSHRLMNA
SCHEMBL8299276 0.80 SMAD3 (0.52) KMT2AMEN1HIF1ATSHRLMNA
SCHEMBL10150306 0.79 SMAD3 (0.53) KMT2AMEN1HIF1ATSHRLMNA
SCHEMBL8297570 0.79 SMAD3 (0.53) KMT2AMEN1HIF1ATSHRLMNA
SCHEMBL10150143 0.79 HIF1A (0.52) KMT2AMEN1HIF1ACNR1CNR2
SCHEMBL10150288 0.76 MTOR (0.53)
SCHEMBL10150446 0.74 CYP1A2 (0.44) TSHRLMNANPSR1ALDH1A1MAPT

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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 KMT2A 3069/4885MEN1 2441/4885HIF1A 4147/4885

“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.