SCHEMBL2379326

SCHEMBL2379326

COc1cccc(OC)c1CNC(=N)Nc1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
PKM P14618 3/20 0.56
HSP90AA1 P07900 1/20 0.56
PAX8 Q06710 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 4/20 0.54
TP53 P04637 3/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
KLF5 Q13887 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2447099 0.88 NPC1 (0.62) RAB9ANPC1PKMHSP90AA1PAX8
Acetic Acid SCHEMBL2378979 0.84 RAB9A (0.62) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL8337701 0.79 LMNA (0.57) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL6959632 0.77 RAB9A (0.57) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL2379528 0.77 ROCK2 (0.40) PKMTP53MAPTKMT2AMEN1
SCHEMBL2449301 0.77 ROCK2 (0.40)
SCHEMBL19820720 0.76 LMNA (0.65) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL17620895 0.76 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2379337 0.76 NPC1 (0.55) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL2423455 0.75 ROCK2 (0.43) PKMSMN1; SMN2LMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 RAB9A 1420/4885NPC1 2968/4885PKM 1978/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 RAB9A 1428/4885NPC1 3179/4885PKM 2003/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 RAB9A 1420/4885NPC1 2968/4885PKM 1978/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 RAB9A 1420/4885NPC1 2968/4885PKM 1978/4885

“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.