SCHEMBL3391968

SCHEMBL3391968

Cc1cnc(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
HBB P68871 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
OGA O60502 2/20 0.52
SLC27A1 Q6PCB7 2/20 0.50
CA9 Q16790 1/20 0.48

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
SCHEMBL3394204 0.89 SMN1; SMN2 (0.64) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL3392827 0.88 CA1 (0.54) KDM4EALDH1A1KMT2AMEN1CA1
SCHEMBL3393954 0.81 CA1 (0.56) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3393276 0.78 SLC27A1 (0.74) KDM4EALDH1A1KMT2AMEN1CA1
SCHEMBL15943685 0.78 SMN1; SMN2 (0.65) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL3393148 0.78 SLC27A1 (0.62) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3390183 0.77 MMP2 (0.65) KDM4EALDH1A1KMT2ALMNACA1
SCHEMBL15943686 0.77 SMN1; SMN2 (0.64) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL3396176 0.77 MEN1 (0.54) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL7423903 0.76 ALOX15 (0.60) ALDH1A1KMT2AMEN1LMNASMN1; 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 6 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
EP-2024364-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-18 EP claimed
WO-2007137417-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-12-06 WO claimed
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
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 KDM4E 3949/4885ALDH1A1 1881/4885KMT2A 4085/4885

“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.