SCHEMBL10033644

SCHEMBL10033644

COCc1ccc(NC(=N)SCCCSC(=N)Nc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 2/20 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
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL10033642 0.88 TRPV1 (0.41) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033645 0.83 ALDH1A1 (0.50) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033636 0.80 LMNA (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10033640 0.80 MEN1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10033646 0.79 RORC (0.50) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL10033639 0.78 NAPRT (0.58) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033637 0.77 MAPT (0.47) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10033647 0.77 NPSR1 (0.43) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL14997857 0.76 MAPT (0.58) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL12650419 0.76 RAB9A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 ALDH1A1 1165/4885NPSR1 2283/4885NPC1 3214/4885

“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.