SCHEMBL2472974

SCHEMBL2472974

CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
TLR2 O60603 2/20 0.48
TLR1 Q15399 2/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 4/20 0.42
NAMPT P43490 1/20 0.41
HTR1A P08908 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2471483 0.93 ALDH1A1 (0.55) KMT2AALDH1A1RAB9APKMTAAR1
SCHEMBL2470282 0.91 ALDH1A1 (0.48) KMT2AALDH1A1RAB9ANPC1PLAAT3
SCHEMBL2471026 0.90 EPHX1 (0.50) KMT2AALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL2465757 0.89 CYP3A4 (0.49) KMT2AALDH1A1RAB9AMEN1
SCHEMBL2473963 0.88 ALDH1A1 (0.47) KMT2AALDH1A1RAB9ANPC1PLAAT3
SCHEMBL2470199 0.88 GFER (0.50) KMT2AALDH1A1RAB9ANPC1PLAAT3
SCHEMBL2470146 0.85 ALDH1A1 (0.47) KMT2AALDH1A1RAB9ANPC1PKM
SCHEMBL2469262 0.85 ALDH1A1 (0.40) KMT2AALDH1A1RAB9ANPC1MEN1
SCHEMBL2470362 0.84 CYP2D6 (0.45) KMT2AALDH1A1RAB9AMEN1
SCHEMBL2472090 0.84 PRKAA2 (0.52) KMT2ATLR2TLR1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885TLR2 4639/4885TLR1 4568/4885

“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.