SCHEMBL17131990

SCHEMBL17131990

COc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)c(OC)c3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.67
▸ KDM4E B2RXH2 6/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ MAPK1 P28482 7/20 0.59
▸ MAPT P10636 7/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ LMNA P02545 4/20 0.59
▸ F2 P00734 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ RXFP1 Q9HBX9 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ RECQL P46063 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL17132011 0.91 ADORA3 (0.54) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL17132036 0.90 ADORA3 (0.62) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL17132004 0.90 MEN1 (0.54) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL17132013 0.89 KMT2A (0.60) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL12248942 0.89 MAPT (0.60) ADORA3KDM4EMEN1KMT2ANPC1
SCHEMBL17131992 0.89 ALDH1A1 (0.71) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL17107190 0.88 ADORA3 (0.71) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL17131991 0.86 HPGD (0.62) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL24107513 0.85 ADORA3 (0.74) ADORA3KDM4ERAB9AMEN1KMT2A
SCHEMBL12248901 0.84 LMNA (0.64) KDM4ERAB9AMEN1KMT2AMAPK1

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 ADORA3 3213/4885KDM4E 4670/4885RAB9A 1305/4885

“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.

Send feedback