SCHEMBL2801672

SCHEMBL2801672

N#Cc1cccnc1NC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.47
ALDH1A1 P00352 8/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL17500003 0.78 HPGD (0.51) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11621982 0.75 HPGD (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28865979 0.74 NPC1 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4659012 0.74 L3MBTL1 (0.69) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3111473 0.73 NPC1 (0.58) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6697261 0.73 NPC1 (0.58) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6176204 0.73 NPC1 (0.57) HPGDALDH1A1NPC1RAB9AKDM4E
SCHEMBL1848870 0.73 NPC1 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19151267 0.73 HPGD (0.52) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3390876 0.73 ALDH1A1 (0.57) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed
EP-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed
EP-0792291-B1 PROTEIN AFFECTING KATP CHANNELS UPJOHN CO (US) 2000-09-20 EP disclosed
US-5925742-A GLYCOPROTEIN OF 54,000 TO 60,000 DALTONS FROM RAT CELLS AND CAPABLE OF BINDING N-(3-AZIDO-5-IODOPHENYL)-N'-CYANO-N''-(1,1-DIMETHYLPROPYL)-GUANIDINE; MODULATORS OF ADENOSINE TRIPHOSPHATE SENSITIVE POTASSIUM CHANNELS PHARMACIA & UPJOHN COMPANY (US) 1999-07-20 US disclosed
US-5856449-A GLYCOPROTEIN PHARMACIA & UPJOHN COMPANY (US) 1999-01-05 US disclosed
EP-0792291-A1 PROTEIN AFFECTING KATP CHANNELS PHARMACIA & UPJOHN COMPANY (US) 1997-09-03 EP disclosed
WO-1996016088-A1 PROTEIN AFFECTING KATP CHANNELS PHARMACIA & UPJOHN COMPANY (US) 1996-05-30 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 (1 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E HPGD 1026/4885ALDH1A1 1066/4885NPC1 2234/4885

“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.