SCHEMBL31339983

SCHEMBL31339983

O=C(Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.51
▸ PIK3CB P42338 4/20 0.51
▸ PIK3CG P48736 4/20 0.51
▸ MAPT P10636 5/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CLK1 P49759 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ P2RX1 P51575 1/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ PRKCA P17252 1/20 0.42

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
SCHEMBL31340023 0.85 ABL1 (0.47) IKBKBABL1BCRHDAC8
SCHEMBL5470733 0.82 MEN1 (0.56) PIK3CAPIK3CBPIK3CGMAPTPOLB
SCHEMBL31339981 0.81 ALDH1A1 (0.43) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL21373454 0.78 PIK3CA (0.60) PIK3CAPIK3CBPIK3CGMAPTCDK2
SCHEMBL25333930 0.77 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGCLK1CCNA2
SCHEMBL31118991 0.77 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGCLK1CCNA2
SCHEMBL1258187 0.75 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGMAPTNPSR1
SCHEMBL14082731 0.75 TRPV1 (0.58) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL5472905 0.74 NPC1 (0.64) PIK3CAPIK3CBPIK3CGMAPTPOLB
SCHEMBL5465315 0.73 PLK1 (0.61) MAPTMEN1KMT2APLK1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF JILIN UNIVERSITY (CN) 2026-05-07 — — US disclosed
EP-4725485-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF Jilin University (CN) 2026-04-15 — — EP disclosed
CN-119285557-A CD97 and GSDME interaction inhibitor with anti-tumor activity and application thereof 吉林大学 2025-01-10 — — 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 (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-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF GZMB, CD74, GSDMD PIK3CA 2743/4885PIK3CB 3043/4885PIK3CG 3512/4885

“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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