SCHEMBL3397006

SCHEMBL3397006

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.58
ACP1 P24666 1/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
CSNK1D P48730 3/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
DYRK1A Q13627 1/20 0.54
KMT2A Q03164 1/20 0.54
USP2 O75604 1/20 0.53

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
SCHEMBL3398024 0.89 ALDH1A1 (0.72) CASRALDH1A1KDM4EPOLBKMT2A
SCHEMBL13497073 0.87 USP2 (0.58) ALDH1A1KDM4EPOLBCSNK1DKMT2A
SCHEMBL3398002 0.86 SLC27A1 (0.62) CASRACP1ALDH1A1KDM4E
SCHEMBL3396188 0.84 SLC27A1 (0.64) ALDH1A1POLBCSNK1DKMT2ASMN1; SMN2
SCHEMBL8356385 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBCSNK1DKMT2A
SCHEMBL3394423 0.84 CLK1 (0.67) CASRACP1ALDH1A1KDM4EPOLB
SCHEMBL3394225 0.81 KDM4E (0.71) CASRACP1ALDH1A1KDM4EKMT2A
SCHEMBL3393148 0.80 SLC27A1 (0.62) ALDH1A1KDM4EPOLBDYRK1AKMT2A
SCHEMBL3393276 0.79 SLC27A1 (0.74) ALDH1A1KDM4ECSNK1DKMT2A
SCHEMBL3392183 0.77 CLK1 (0.65) ALDH1A1POLBKMT2ASMN1; SMN2

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-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US claimed
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
WO-2007137417-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-12-06 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-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, CACNA1I CASR 153/4885ACP1 3968/4885ALDH1A1 1881/4885

“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.