SCHEMBL31625892

SCHEMBL31625892

COC(=O)c1ccnc(Oc2c(F)cc3[nH]ccc3c2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ KDM3A Q9Y4C1 1/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ KDM5A P29375 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33

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
SCHEMBL27275538 1.00 KDM4E (0.38) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL27285201 0.87 PRKCI (0.38) KDM5CTRPA1CDK8KDM5BKDR
SCHEMBL27285206 0.83 ASH1L (0.36) KDM4ETRPA1
SCHEMBL27285033 0.82 TRPA1 (0.35) TRPA1
Iodide SCHEMBL30840750 0.82 TRPA1 (0.34) TRPA1
SCHEMBL31625861 0.81 MET (0.38) KDM4ETRPA1ALDH1A1KDRHPGD
SCHEMBL27275542 0.81 MET (0.38) KDM4ETRPA1ALDH1A1KDRHPGD
SCHEMBL27287188 0.74 TTBK1 (0.33) KDM4EALDH1A1TTBK1TTBK2HPGD
SCHEMBL30840375 0.74 TTBK1 (0.33) KDM4EALDH1A1TTBK1TTBK2HPGD
SCHEMBL31396294 0.69 NPC1 (0.45) KDM4EL3MBTL1ALDH1A1NPC1PARP1

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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 — — US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 — — 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 (4 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 KDM4E 3745/4885KDM6B 4723/4885KDM5C 4460/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 KDM4E 3745/4885KDM6B 4723/4885KDM5C 4460/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 KDM4E 3829/4885KDM6B 4735/4885KDM5C 4462/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 KDM4E 4252/4885KDM6B 4527/4885KDM5C 4370/4885

“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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