SCHEMBL3214830

SCHEMBL3214830

COc1ccccc1CN1Cc2ccccc2N=C1NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
BRD4 O60885 1/20 0.40
CYP2D6 P10635 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4761613 0.84 GRIN2B (0.38) GRIN2BALDH1A1MAPK1CYP2D6KDM4E
SCHEMBL4761749 0.84 ALDH1A1 (0.40) GRIN2BALDH1A1MAPK1BRD4CYP2D6
SCHEMBL4713958 0.83 TLR7 (0.46) GRIN2BALDH1A1CYP2D6TSHRMAPT
Hydrochloric Acid SCHEMBL3210882 0.82 TLR7 (0.46) GRIN2BALDH1A1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL3211777 0.81 LMNA (0.42) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL4715918 0.81 MEN1 (0.42) ALDH1A1MAPK1CYP2D6KDM4EMEN1
SCHEMBL3215576 0.81 SIGMAR1 (0.44) GRIN2BALDH1A1KDM4EMEN1KMT2A
Acetic Acid SCHEMBL3219405 0.81 HTT (0.40) ALDH1A1MAPK1BRD4CYP2D6KDM4E
Acetic Acid SCHEMBL3221646 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1BRD4CYP2D6KDM4E
Hydrochloric Acid SCHEMBL3211750 0.80 MEN1 (0.41) ALDH1A1MAPK1CYP2D6KDM4EMEN1

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-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
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO 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 GRIN2B 136/4885ALDH1A1 1897/4885MAPK1 2132/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C GRIN2B 136/4885ALDH1A1 1897/4885MAPK1 2132/4885

“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.