SCHEMBL17133129

SCHEMBL17133129

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
RECQL P46063 1/20 0.62
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
MAPK1 P28482 3/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
CA12 O43570 7/20 0.58
CA1 P00915 7/20 0.58
CA2 P00918 7/20 0.58
CA9 Q16790 7/20 0.58
RXFP1 Q9HBX9 1/20 0.54
HSD17B10 Q99714 1/20 0.53
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 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
SCHEMBL17107128 0.87 RAB9A (0.71) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17107129 0.87 RAB9A (0.71) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17132003 0.87 RAB9A (0.71) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17107275 0.83 ALOX5 (0.67) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17107273 0.83 ALOX5 (0.67) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17131998 0.81 RAB9A (0.53) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17133128 0.80 RXFP1 (0.58) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL1427483 0.79 SMN1; SMN2 (0.73) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL1427482 0.79 SMN1; SMN2 (0.73) RAB9ANPC1RECQLALDH1A1SMN1; SMN2
SCHEMBL17107111 0.77 RAB9A (0.61) RAB9ANPC1RECQLALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 189/4885RECQL 1037/4885

“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.