SCHEMBL2382003

SCHEMBL2382003

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(NC(=O)COC(C)=O)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PAX8 Q06710 1/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL2446057 0.89 KMT2A (0.55) RAB9ANPC1ROCK2ROCK1MEN1
Acetic Acid SCHEMBL2381998 0.88 KMT2A (0.55) RAB9ANPC1ROCK2ROCK1MEN1
SCHEMBL2382007 0.82 KMT2A (0.49) RAB9ANPC1ROCK2ROCK1MEN1
SCHEMBL2443677 0.82 NPC1 (0.54) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL2379112 0.82 RAB9A (0.53) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL2381307 0.82 ROCK2 (0.49) RAB9ANPC1ROCK2ROCK1MEN1
SCHEMBL2380592 0.82 ROCK2 (0.53) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL2444215 0.82 ROCK1 (0.49) ROCK2ROCK1MEN1KMT2AALDH1A1
Bromide SCHEMBL2380827 0.81 NPC1 (0.53) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL2379292 0.81 ALOX5 (0.55) RAB9ANPC1ROCK2ROCK1MEN1

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-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
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
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
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 2968/4885CASP3 4646/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 RAB9A 1428/4885NPC1 3179/4885CASP3 4605/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 RAB9A 1420/4885NPC1 2968/4885CASP3 4646/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 RAB9A 1420/4885NPC1 2968/4885CASP3 4646/4885

“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.