SCHEMBL17131998

SCHEMBL17131998

CCn1c(-c2ccccc2)cs/c1=N/C(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 9/20 0.53
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KDM4E B2RXH2 7/20 0.52
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47

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
SCHEMBL17107274 0.84 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL17107276 0.84 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL17107129 0.83 RAB9A (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17107128 0.83 RAB9A (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17133129 0.81 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17107273 0.79 ALOX5 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17107275 0.79 ALOX5 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17107112 0.73 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17132024 0.73 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13592290 0.71 KDM4E (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2

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 4 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-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 (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.