SCHEMBL23901976

SCHEMBL23901976

CCCC(N)C(CC)COC(=O)CCSc1ccnc(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL23901980 0.85 ACACB (0.32) PDE1APDE1BPDE1C
SCHEMBL26471986 0.82 TDP1 (0.36) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL19785248 0.82 CYP3A4 (0.50) KMT2AALDH1A1PDE1APDE1BPDE1C
SCHEMBL21154729 0.81 CYP3A4 (0.46) ALDH1A1PDE1APDE1BPDE1CMAPT
SCHEMBL27132794 0.79 KMT2A (0.45) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL23901923 0.77 KMT2A (0.32) KMT2AMEN1ALDH1A1PDE1APDE1B
SCHEMBL28513595 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28657678 0.76 THRB (0.40) ALDH1A1GAAMAPT
SCHEMBL18319841 0.74 KMT2A (0.45) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL29506060 0.74 KMT2A (0.45) HTTKMT2AMEN1ALDH1A1MAPT

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-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 — — US disclosed
EP-4129987-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-02-08 — — EP disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 — — US disclosed
WO-2021197452-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES 上海翰森生物医药科技有限公司 2021-10-07 — — 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 (2 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-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF PTPN11, PTPN1, PTPN7 PKM 3766/4885HTT 2838/4885KMT2A 1786/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 PKM 3999/4885HTT 2515/4885KMT2A 987/4885

“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.

Send feedback