SCHEMBL10033642

SCHEMBL10033642

COCCc1ccc(NC(=N)SCCCSC(=N)Nc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
PPARA Q07869 3/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOS1 P29475 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HIF1A Q16665 1/20 0.39
FPR2 P25090 1/20 0.39
NR3C1 P04150 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10033644 0.88 ALDH1A1 (0.41) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033636 0.84 LMNA (0.46) PPARAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10033645 0.82 ALDH1A1 (0.50) ALDH1A1NPSR1NOS1NPC1RAB9A
SCHEMBL10033640 0.78 MEN1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL10033646 0.78 RORC (0.50) ALDH1A1NPSR1POLBGAAHTT
SCHEMBL10033639 0.77 NAPRT (0.58) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033637 0.76 MAPT (0.47) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033647 0.76 NPSR1 (0.43) ALDH1A1NPSR1NOS1NPC1RAB9A
SCHEMBL14997857 0.75 MAPT (0.58) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL14997856 0.74 PTGS2 (0.48) ALDH1A1NPSR1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 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-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS NAT10, RNGTT, NSUN2 TRPV1 4265/4885PPARA 235/4885ALDH1A1 1165/4885

“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.