SCHEMBL30457787

SCHEMBL30457787

Nc1cc2scnc2cc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
HSD11B1 P28845 1/20 0.45
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
CDK8 P49336 2/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
PDPK1 O15530 1/20 0.41
FADS1 O60427 1/20 0.41
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL25276478 1.00 GRM4 (0.50) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL25285461 0.82 GRM4 (0.47) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL30457904 0.82 GRM4 (0.47) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL25231282 0.81 MAPT (0.48) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL30458425 0.81 MAPT (0.48) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL25233888 0.77 MAPT (0.48) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL31582888 0.77 FADS1 (0.67) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL4033804 0.77 FADS1 (0.67) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL31038314 0.76 GRM4 (0.57) GRM4NPC1RAB9ATHRBFLT1
SCHEMBL25277128 0.76 GRM4 (0.51) GRM4NPC1RAB9AMEN1KMT2A

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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-27 US disclosed
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118401502-A Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists 百时美施贵宝公司 2024-07-26 CN disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO 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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS RXFP1, RXFP2, RXFP3 GRM4 1278/4885NPC1 2042/4885RAB9A 3464/4885

“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.