SCHEMBL5388491

SCHEMBL5388491

COc1ccc(CSc2nsc(OCc3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.50
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALOX15 P16050 1/20 0.49
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 2/20 0.47
METAP2 P50579 1/20 0.46
NPC1 O15118 4/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46

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
SCHEMBL5378195 0.90 RAB9A (0.59) RAB9ASMN1; SMN2ALOX15CYP2D6CYP2C9
SCHEMBL5372995 0.85 ALOX15 (0.51) CTSBRAB9ASMN1; SMN2ALOX15CYP2D6
SCHEMBL5375690 0.82 RAB9A (0.45) RAB9ASMN1; SMN2CYP2C9CYP2C19NPC1
SCHEMBL5388607 0.81 RAB9A (0.52) RAB9ASMN1; SMN2ALOX15CYP3A4HPGD
SCHEMBL4800890 0.78 RAB9A (0.49) RAB9ASMN1; SMN2ALOX15CYP3A4HPGD
SCHEMBL5377736 0.77 LMNA (0.47) RAB9ASMN1; SMN2ALOX15CYP2D6CYP2C9
SCHEMBL5422577 0.77 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2ALOX15CYP2C19CYP3A4
SCHEMBL5427209 0.76 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2ALOX15ALDH1A1MAPT
SCHEMBL4799594 0.75 RAB9A (0.50) CTSBRAB9ASMN1; SMN2ALOX15CYP2E1
SCHEMBL5381470 0.75 RAB9A (0.48) RAB9ASMN1; SMN2ALOX15CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 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 (2 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH CTSB 3245/4885RAB9A 1998/4885SMN1; SMN2 3880/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH CTSB 3314/4885RAB9A 2211/4885SMN1; SMN2 3891/4885

“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.