SCHEMBL17132010

SCHEMBL17132010

Cc1cc(-c2csc(NC(=O)c3ccccc3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.58
▸ MAPT P10636 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ RRM1 P23921 1/20 0.57
▸ RRM2B Q7LG56 1/20 0.57
▸ USP2 O75604 1/20 0.55
▸ USP8 P40818 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ADORA3 P0DMS8 3/20 0.54
▸ KDM4A O75164 1/20 0.53
▸ KDM4B O94953 1/20 0.53
▸ KDM5B Q9UGL1 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL17107141 0.92 SCD (0.64) SCDMAPTKDM4EMAPK1RRM1
SCHEMBL18723983 0.84 ABL1 (0.53) KDM4EMAPK1NPC1RAB9AHTT
SCHEMBL31265595 0.83 PARP1 (0.74) SCDMAPTMAPK1PARP1NPC1
SCHEMBL2753872 0.80 LMNA (0.77) SCDMAPTKDM4EMAPK1RRM1
SCHEMBL1270375 0.78 SCD (0.89) SCDMAPTKDM4EMAPK1RRM1
SCHEMBL12249704 0.78 LMNA (0.63) SCDMAPTKDM4ERRM1RRM2B
SCHEMBL233522 0.78 SCD (0.78) SCDMAPTKDM4EMAPK1PARP1
SCHEMBL2754003 0.77 SCD (0.69) SCDMAPTRRM1RRM2BPOLB
SCHEMBL16607187 0.76 MPL (0.68) MAPTKDM4EMAPK1POLBHTT
SCHEMBL6248973 0.75 MAPT (0.67) MAPTKDM4EMAPK1RRM1RRM2B

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 SCD 4368/4885MAPT 3002/4885KDM4E 4670/4885

“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.

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