SCHEMBL2379989

SCHEMBL2379989

NC(=S)Nc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.71
POLB P06746 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
MAPT P10636 1/20 0.63
LMNA P02545 2/20 0.61
NPC1 O15118 9/20 0.58
RAB9A P51151 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
PKM P14618 4/20 0.58
MAOB P27338 1/20 0.58
ADORA2A P29274 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
SCD O00767 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL707871 0.83 CYP3A4 (0.71) CYP3A4POLBTDP1LMNANPC1
SCHEMBL29776932 0.83 CYP3A4 (1.00) CYP3A4POLBTDP1LMNANPC1
SCHEMBL28800545 0.83 CYP3A4 (0.71) CYP3A4POLBTDP1LMNANPC1
SCHEMBL707208 0.83 CYP3A4 (1.00) CYP3A4POLBTDP1LMNANPC1
Hydrochloric Acid SCHEMBL7080808 0.81 CYP3A4 (0.69) CYP3A4POLBTDP1LMNANPC1
SCHEMBL14395372 0.81 ABL1 (0.48) CYP3A4POLBTDP1MAPTLMNA
SCHEMBL11734676 0.80 NPC1 (0.68) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL23566380 0.79 NPC1 (0.75) CYP3A4POLBTDP1LMNANPC1
SCHEMBL19820720 0.79 LMNA (0.65) CYP3A4POLBTDP1LMNANPC1
SCHEMBL204726 0.77 NPC1 (0.73) CYP3A4POLBTDP1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049656-B1 PURIFICATION DEVICE FOR REMOVING HEAVY METALS FROM CONTAMINATED AQUEOUS EFFLUENTS Commissariat à l'Energie Atomique (FR) 1985-05-29 EP claimed
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
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 WO disclosed
EP-1555264-A1 Five-membered heterocyclic compounds as inhibitors of SRC family protein kinase. Sireen AG (DE) 2005-07-20 EP disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
EP-0049656-B1 PURIFICATION DEVICE FOR REMOVING HEAVY METALS FROM CONTAMINATED AQUEOUS EFFLUENTS Commissariat à l'Energie Atomique (FR) 1985-05-29 EP disclosed
EP-0049656-A1 Purification device for removing heavy metals from contaminated aqueous effluents Commissariat à l'Energie Atomique (FR) 1982-04-14 EP disclosed
EP-0049656-A1 Purification device for removing heavy metals from contaminated aqueous effluents Commissariat à l'Energie Atomique (FR) 1982-04-14 EP disclosed
EP-0001949-A1 Lubricant compositions that contain phosphorus and nitrogen OROGIL (FR) 1979-05-16 EP 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 CYP3A4 3559/4885POLB 4113/4885TDP1 247/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 CYP3A4 3961/4885POLB 3967/4885TDP1 243/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 CYP3A4 3559/4885POLB 4113/4885TDP1 247/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 CYP3A4 3559/4885POLB 4113/4885TDP1 247/4885

“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.