SCHEMBL282262

SCHEMBL282262

COc1ccnc(Oc2ccc(N)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
APAF1 O14727 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.50
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
P2RX3 P56373 1/20 0.40
TEAD4 Q15561 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL1121004 0.83 L3MBTL1 (0.50) MEN1KMT2AAPAF1L3MBTL1SCN9A
SCHEMBL30411682 0.83 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10681003 0.76 MEN1 (0.61) MEN1KMT2AAPAF1L3MBTL1SCN9A
SCHEMBL12015 0.76 CCR1 (0.41) L3MBTL1TDP1RAB9ANOS3NOS1
SCHEMBL29520064 0.76 CCR1 (0.41) L3MBTL1TDP1RAB9ANOS3NOS1
SCHEMBL4375485 0.75 NOS3 (0.55) MEN1KMT2AAPAF1ALDH1A1SMN1; SMN2
SCHEMBL3177144 0.75 SMN1; SMN2 (0.54) MEN1KMT2AAPAF1ALDH1A1SMN1; SMN2
SCHEMBL4234646 0.74 ALDH1A1 (0.65) MEN1KMT2AAPAF1L3MBTL1ALDH1A1
Sulfanilamide SCHEMBL28100665 0.74 LMNA (0.50) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL2345370 0.74 MEN1 (1.00) MEN1KMT2AAPAF1SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 MEN1 2063/4885KMT2A 1811/4885APAF1 3945/4885

“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.