SCHEMBL17132015

SCHEMBL17132015

Cn1c(-c2cccc(Cl)c2)cs/c1=N/C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 1/20 0.61
HSD17B10 Q99714 1/20 0.45
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGS2 P35354 2/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL17107247 1.00 RAB9A (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17107248 1.00 RAB9A (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17107260 0.87 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17132000 0.87 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17107261 0.87 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17131994 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17107133 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17107134 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17107178 0.86 RAB9A (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17132007 0.86 RAB9A (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1TP53

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 1305/4885SMN1; SMN2 2720/4885NPC1 189/4885
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS FSCN1, SMN1; SMN2, DCX RAB9A 931/4885SMN1; SMN2 2/4885NPC1 4121/4885

“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.