SCHEMBL17132020

SCHEMBL17132020

CCCCn1c(-c2ccc(C)cc2C)cs/c1=N/C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
TP53 P04637 3/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
CNR2 P34972 6/20 0.41
CNR1 P21554 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 3/20 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
SCHEMBL17107162 1.00 RAB9A (0.53) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17107163 1.00 RAB9A (0.53) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17131995 0.96 RAB9A (0.51) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17107187 0.96 RAB9A (0.51) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17107188 0.96 RAB9A (0.51) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17107220 0.96 RAB9A (0.51) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17107222 0.96 RAB9A (0.51) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17132021 0.96 RAB9A (0.51) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17107177 0.94 RAB9A (0.55) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL17132022 0.94 RAB9A (0.55) RAB9AHSD17B10ALDH1A1SMN1; SMN2NPC1

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-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS SPINOGENIX, INC. 2021-10-28 US disclosed
US-9650369-B2 Anti-migration and anti-invasion thiazole analogs for treatment of cellular proliferative disease XAVIER UNIVERSITY OF LOUISIANA (US) 2017-05-16 US disclosed
US-9650369-B2 Anti-migration and anti-invasion thiazole analogs for treatment of cellular proliferative disease XAVIER UNIVERSITY OF LOUISIANA (US) 2017-05-16 US disclosed
US-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE XAVIER UNIVERSITY OF LOUISIANA 2015-10-01 US disclosed
US-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE XAVIER UNIVERSITY OF LOUISIANA 2015-10-01 US 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-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE MKI67, MIF, NUDC RAB9A 1305/4885HSD17B10 1947/4885ALDH1A1 1082/4885
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS FSCN1, SMN1; SMN2, DCX RAB9A 931/4885HSD17B10 2591/4885ALDH1A1 3791/4885

“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.