SCHEMBL30778002

SCHEMBL30778002

O=C(O)c1cnc(N2CCN(/C(=N/O)c3c(F)cccc3C(F)(F)F)CC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.42
MPL P40238 3/20 0.42
P2RY12 Q9H244 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC2A1 P11166 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HSD11B1 P28845 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL23064356 1.00 RORC (0.42) RORCMPLP2RY12MAPTSMN1; SMN2
SCHEMBL23064353 1.00 RORC (0.42) RORCMPLP2RY12MAPTSMN1; SMN2
SCHEMBL31050098 0.93 RORC (0.48) RORCMPLP2RY12MAPTSMN1; SMN2
SCHEMBL23064362 0.87 P2RX7 (0.43) RORCHSD11B1
SCHEMBL23064361 0.87 P2RX7 (0.43) RORCHSD11B1
SCHEMBL23283045 0.85 P2RY12 (0.47) RORCP2RY12SLC2A1
SCHEMBL23064339 0.84 P2RY12 (0.48) P2RY12SMN1; SMN2MEN1KMT2A
SCHEMBL23064338 0.84 P2RY12 (0.48) P2RY12SMN1; SMN2MEN1KMT2A
SCHEMBL25844259 0.82 TRPA1 (0.48) TRPV1HSD11B1
SCHEMBL23064370 0.79 TRPV1 (0.47) P2RY12MAPTSMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170116-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING RENAL DISEASE OSAKA UNIVERSITY (JP) 2025-05-29 US disclosed
US-20250073229-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING HEART FAILURE SHINSHU UNIVERSITY (JP) 2025-03-06 US disclosed
CN-118678955-A Pharmaceutical composition for preventing and/or treating heart failure 国立大学法人大阪大学 2024-09-20 CN disclosed
US-20240307375-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR KYOTO UNIVERSITY (JP) 2024-09-19 US disclosed
CN-112204017-B Benzisoxazole compounds 国立大学法人大阪大学 2024-08-20 CN disclosed
CN-117580577-A Pharmaceutical composition for preventing and/or treating kidney injury and autophagy activator 国立大学法人大阪大学 2024-02-20 CN 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 (3 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-20240307375-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR ATG7, BECN1, SQSTM1 RORC 1342/4885MPL 3723/4885P2RY12 465/4885
US-20250170116-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING RENAL DISEASE REN, ATP6V1B1, CYP2S1 RORC 859/4885MPL 3916/4885P2RY12 834/4885
US-20250073229-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING HEART FAILURE CBR1, CYP2S1, CYP2F1 RORC 600/4885MPL 3385/4885P2RY12 974/4885

“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.