SCHEMBL17107166

SCHEMBL17107166

CCN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.78
RAB9A P51151 5/20 0.78
KMT2A Q03164 9/20 0.73
TSHR P16473 8/20 0.66
MEN1 O00255 7/20 0.66
ALDH1A1 P00352 6/20 0.66
LMNA P02545 5/20 0.66
RAD52 P43351 4/20 0.66
MAPT P10636 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
NPSR1 Q6W5P4 2/20 0.62
USP2 O75604 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL2827063 0.88 KMT2A (0.84) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL17107109 0.83 GRM1 (0.64) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL2830229 0.80 TSHR (0.73) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL17133130 0.80 MEN1 (0.76) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL2825249 0.79 TSHR (0.71) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL11401933 0.79 KMT2A (0.62) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL2828628 0.78 TSHR (0.84) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL2830297 0.74 TSHR (0.64) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL17107193 0.73 KMT2A (0.65) NPC1RAB9AKMT2ATSHRMEN1
SCHEMBL4799815 0.72 KMT2A (0.60) NPC1RAB9AKMT2ATSHRMEN1

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 7 patents. 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 claimed
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-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
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 NPC1 189/4885RAB9A 1305/4885KMT2A 4592/4885

“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.