SCHEMBL2380460

SCHEMBL2380460

COc1cccc(OC)c1CNC(N)=Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
PKM P14618 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
AKR1C3 P42330 2/20 0.37
GRM5 P41594 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL2380458 0.81 KMT2A (0.41) P2RX3PKMNPC1RAB9AKMT2A
SCHEMBL2451066 0.78 ADRA2A (0.48) NPC1RAB9AKMT2AGAATDP1
SCHEMBL2381429 0.75 ROCK2 (0.40) GAAALDH1A1MAPT
SCHEMBL2379892 0.73 TDP1 (0.46) PKMRAB9AKMT2AGAATDP1
SCHEMBL2416752 0.70 ATP4A (0.45) NPC1RAB9AKMT2AALDH1A1KDM4E
Bromide SCHEMBL2378277 0.69 ATP4A (0.47) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL2448853 0.69 ATP4A (0.48) KMT2AGAATDP1ALDH1A1LMNA
SCHEMBL12680947 0.69 NPC1 (0.55) PKMNPC1RAB9AKMT2AGAA
Bromide SCHEMBL2379363 0.68 ATP4A (0.48) KMT2AGAATDP1ALDH1A1LMNA
SCHEMBL2379370 0.68 TSHR (0.45) KMT2AGAAALDH1A1

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 13 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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 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 (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 P2RX3 686/4885PKM 1978/4885NPC1 2968/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 P2RX3 790/4885PKM 2003/4885NPC1 3179/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 P2RX3 686/4885PKM 1978/4885NPC1 2968/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 P2RX3 686/4885PKM 1978/4885NPC1 2968/4885

“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.