SCHEMBL721141

SCHEMBL721141

Cn1c(OBOc2cc3ccccc3n2C)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
DAO P14920 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
TERT O14746 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
SCHEMBL20436870 0.85 DAO (0.46) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL4912683 0.80 KMT2A (0.50) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL30193576 0.80 KMT2A (0.50) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL26049788 0.76 KMT2A (0.46) KMT2ADAOMCL1ALDH1A1MAPT
Dimethylamine SCHEMBL11499079 0.76 KMT2A (0.46) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL13665375 0.74 DAO (0.46) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL17321511 0.74 DAO (0.46) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL4198025 0.73 MCL1 (0.57) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL27497553 0.73 MCL1 (0.53) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL1227902 0.72 DAO (0.47) KMT2ADAOMCL1ALDH1A1MAPT

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-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KMT2A 4706/4885DAO 3928/4885MCL1 3208/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885DAO 3928/4885MCL1 3208/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885DAO 3928/4885MCL1 3208/4885

“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.