SCHEMBL17829372

SCHEMBL17829372

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5cc4-c4ccc(-c5cccc6cccnc56)cc4)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
NTSR1 P30989 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
ATR Q13535 1/20 0.43
ENPP1 P22413 1/20 0.43
BRD4 O60885 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 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
SCHEMBL17829369 1.00 TOP1 (0.52) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL12579338 0.96 TOP1 (0.56) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL12210992 0.96 TOP1 (0.56) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL12210919 0.96 TOP1 (0.56) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10051273 0.94 TOP1 (0.55) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10051373 0.94 TOP1 (0.55) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10051271 0.94 TOP1 (0.55) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL25632423 0.94 TOP1 (0.55) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10051372 0.94 TOP1 (0.55) TOP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10051329 0.93 TOP1 (0.54) TOP1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 TOP1 3349/4885MEN1 2678/4885KMT2A 536/4885

“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.