SCHEMBL25076539

SCHEMBL25076539

OC(CN1CCNCC1)CN(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.59
▸ BAX Q07812 2/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ RAD52 P43351 1/20 0.46
▸ SLC18A3 Q16572 1/20 0.43
▸ IGF1R P08069 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ AGER Q15109 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
SCHEMBL25076580 0.95 BAX (0.53) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL25076578 0.87 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL25076581 0.85 MEN1 (0.42) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL27175581 0.82 KMT2A (0.59) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL25076575 0.81 KMT2A (0.52) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL25076572 0.79 SIGMAR1 (0.43) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL25076475 0.76 ABCB1 (0.52) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL20495152 0.76 ABCB1 (0.52) KMT2AALDH1A1MEN1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL5551349 0.72 DNM1 (0.54) KMT2AALDH1A1MEN1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL5557210 0.71 RAD52 (0.51) KMT2AALDH1A1MEN1KDM4EHSD17B10

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-20250134095-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION ALBERT EINSTEIN COLLEGE MEDICINE (US) 2025-05-01 — — US disclosed
US-20250000857-A1 SMALL MOLECULE BAX INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE MEDICINE (US) 2025-01-02 — — US disclosed
US-20240350482-A1 SMALL MOLECULE BAX INHIBITORS AND USES THEREOF THE UNIVERSITY OF MANITOBA (CA) 2024-10-24 — — US disclosed
EP-4387447-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION Albert Einstein College of Medicine (US) 2024-06-26 — — EP disclosed
US-11938128-B2 Small molecule BAX inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2024-03-26 — — US disclosed
WO-2023023316-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-02-23 — — WO disclosed
WO-2023023316-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-02-23 — — 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 (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-20250000857-A1 SMALL MOLECULE BAX INHIBITORS AND USES THEREOF BAX, BCL2, BAK1 KMT2A 4375/4885ALDH1A1 3876/4885MEN1 2798/4885
US-20250134095-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION PIGS, ALPG, ALPP KMT2A 4811/4885ALDH1A1 1110/4885MEN1 2626/4885
US-11938128-B2 Small molecule BAX inhibitors and uses thereof BAX, BCL2, TMBIM6 KMT2A 4640/4885ALDH1A1 4302/4885MEN1 2920/4885
US-20240350482-A1 SMALL MOLECULE BAX INHIBITORS AND USES THEREOF BAX, BCL2, TMBIM6 KMT2A 4640/4885ALDH1A1 4302/4885MEN1 2920/4885

“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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