SCHEMBL3219206

SCHEMBL3219206

COc1ccc(CN2C=Nc3ccccc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
GAA P10253 3/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PTGIR P43119 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 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
SCHEMBL30586343 0.81 SIGMAR1 (0.47) SIGMAR1GAAMEN1APAF1CASP3
SCHEMBL5459472 0.76 SIGMAR1 (0.37) SIGMAR1MEN1KMT2APTGIRL3MBTL1
SCHEMBL30138428 0.72 CYP2D6 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16452796 0.70 NPC1 (0.46) SIGMAR1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL16466374 0.69 PTGIR (0.40) SIGMAR1GAACASP3PTGIRL3MBTL1
SCHEMBL16466563 0.69 PTGIR (0.40) SIGMAR1MEN1KMT2APTGIRL3MBTL1
SCHEMBL29687292 0.69 ALDH1A1 (0.50) SIGMAR1MEN1KMT2AALDH1A1NPC1
SCHEMBL29547216 0.69 MEN1 (0.46) SIGMAR1GAAMEN1KMT2APOLB
SCHEMBL13302252 0.67 TNF (0.70) SIGMAR1MEN1KMT2AALDH1A1POLB
SCHEMBL30825897 0.67 SIGMAR1 (0.43) SIGMAR1GAAMEN1KMT2APTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414430-A Pharmacologically active quinazolinedione derivatives 奥赖恩公司 2017-02-15 CN disclosed
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885GAA 3123/4885MEN1 2777/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885GAA 3123/4885MEN1 2777/4885

“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.