SCHEMBL2996550

SCHEMBL2996550

[c]1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL16720376 0.86 NPC1 (0.50) PDE10AMAPTALDH1A1GLAHPGD
SCHEMBL12504960 0.85 AR (0.51) MAPTALDH1A1GLAHPGDKDM4E
SCHEMBL8637618 0.81 GSTP1 (0.40) MAPTALDH1A1GLAHPGDACHE
SCHEMBL16720404 0.81 ADORA2A (0.43) PDE10AMAPTALDH1A1GLAHPGD
SCHEMBL16720353 0.81 HSD17B1 (0.46) PDE10AESR1ESR2CYP1A2LMNA
SCHEMBL21195921 0.80 PDGFRB (0.49) MAPTALDH1A1GLAHPGDACHE
SCHEMBL6499308 0.78 PDGFRB (0.51) MAPTALDH1A1GLAHPGDACHE
SCHEMBL529615 0.77 TAAR1 (0.49) ALDH1A1NPC1MEN1KMT2ANUDT1
SCHEMBL382679 0.76 RAB9A (0.47) MAPTALDH1A1HPGDTDP1KDM4E
SCHEMBL6448031 0.76 ALDH1A1 (0.43) MAPTALDH1A1GLAHPGDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-16 US disclosed
EP-3560003-A1 MIXTURES COMPRISING AT LEAST TWO ORGANOFUNCTIONAL COMPOUNDS Merck Patent GmbH (DE) 2019-10-30 EP disclosed
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
US-20100179177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-07-15 US disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 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 (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-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues PIK3C3, ERG28, DDT PDE10A 798/4885MAPT 3403/4885ALDH1A1 3139/4885
US-20100179177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PDE10A 3271/4885MAPT 3355/4885ALDH1A1 3905/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT PDE10A 798/4885MAPT 3403/4885ALDH1A1 3139/4885

“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.