SCHEMBL24865355

SCHEMBL24865355

c1ccc(Nc2ccc3c(c2)CCNC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.53
▸ CD44 P16070 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ ASIC3 Q9UHC3 2/20 0.50
▸ HTR6 P50406 1/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ BPTF Q12830 1/20 0.47
▸ DDB1 Q16531 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47
▸ AXL P30530 2/20 0.47
▸ TYRO3 Q06418 2/20 0.47
▸ MERTK Q12866 2/20 0.47
▸ HTR2B P41595 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ AR P10275 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL17961915 0.80 ALDH1A1 (0.56) HTR2BALDH1A1MEN1ARMAPT
SCHEMBL11961891 0.80 ALDH1A1 (0.56) HTR2BALDH1A1MEN1ARMAPT
Hydrochloric Acid SCHEMBL1188323 0.79 NPC1 (0.65) MEN1MAPTKMT2ATSHRF2
SCHEMBL16847015 0.77 ASIC3 (0.55) PNMTCD44MAOBASIC3DRD2
SCHEMBL12377130 0.77 NPC1 (0.62) HTR2BALDH1A1MEN1ARMAPT
SCHEMBL8386481 0.77 NPC1 (0.57) HTR2BALDH1A1MEN1ARMAPT
SCHEMBL10357482 0.76 HTR6 (0.84) PNMTHTR6DRD2DRD3HTR2B
SCHEMBL30138320 0.76 ACVR1 (0.48) PNMTBPTFAXLTYRO3MERTK
SCHEMBL8197860 0.76 MELK (0.68) F2PLGPLAUPLATKLKB1
SCHEMBL20294490 0.76 CD274 (0.55) ASIC3BPTFAXLTYRO3MERTK

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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 — — US disclosed
CN-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 — — CN disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 — — CN disclosed
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 — — WO disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 — — WO disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 — — 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 PNMT 3899/4885CD44 1908/4885MAOB 1722/4885

“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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