SCHEMBL4213515

SCHEMBL4213515

CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12.CS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB known ✓ P27338 1/20 0.92
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2E1 P05181 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ MAOA P21397 1/20 0.92

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
SCHEMBL4208371 0.96 MAOA (1.00) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4209619 0.89 CYP3A4 (0.81) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4211801 0.86 MAOA (0.78) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4217912 0.86 MAOB (0.81) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4219807 0.86 MAOB (0.81) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4214762 0.84 MAOB (0.78) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4206449 0.84 MAOB (0.77) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4203685 0.83 MAOB (0.83) MAOAMAOB
SCHEMBL4208391 0.83 MAOB (0.72) CYP1A2CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL4208357 0.83 MAOB (0.77) MAOAMAOB

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
CN-118978517-A Preparation method and application of radioactive probe targeting monoamine oxidase B 中国科学院高能物理研究所 2024-11-19 — — CN disclosed
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 — — US disclosed
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 — — 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-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 MAOB 1/4885CYP1A2 56/4885CYP2E1 32/4885

“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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