SCHEMBL17132007

SCHEMBL17132007

Cn1c(-c2cccc(Br)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
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 1/20 0.61
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
POLB P06746 2/20 0.41
ALOX5 P09917 2/20 0.40
PTGS2 P35354 2/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL17107178 1.00 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17107180 1.00 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17132000 0.87 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17107260 0.87 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17107261 0.87 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17131986 0.86 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17107183 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17107184 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17107268 0.86 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17132025 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE MKI67, MIF, NUDC RAB9A 1305/4885NPC1 189/4885ALDH1A1 1082/4885

“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.