SCHEMBL13054009

SCHEMBL13054009

Nc1ccn(-c2ccccc2)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NOTUM Q6P988 1/20 0.37
COMT P21964 1/20 0.36
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP2A6 P11509 1/20 0.33
PLA2G4A P47712 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
PABPC1 P11940 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12998009 0.69 NOTUM (0.49) ATMSMN1; SMN2DDB1CRBNMEN1
SCHEMBL13054008 0.68 PLA2G1B (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL1127259 0.65 ATM (1.00) ATMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13575371 0.65 SMN1; SMN2 (0.56) ATMSMN1; SMN2DDB1CRBNMEN1
SCHEMBL3550482 0.65 NOTUM (0.53) ATMSMN1; SMN2DDB1CRBNMEN1
SCHEMBL25294091 0.64 SMN1; SMN2 (0.47) ATMSMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL28852170 0.64 ATM (0.43) ATMSMN1; SMN2DDB1CRBNMEN1
SCHEMBL15803829 0.64 SMN1; SMN2 (0.50) ATMSMN1; SMN2DDB1CRBNMEN1
SCHEMBL7768522 0.64 SMN1; SMN2 (1.00) ATMSMN1; SMN2DDB1CRBNMEN1
SCHEMBL12998008 0.63 SMN1; SMN2 (0.41) ATMSMN1; SMN2DDB1CRBNMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305200-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2010-12-02 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-20100305200-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 ATM 3512/4885SMN1; SMN2 732/4885DDB1 3435/4885

“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.