SCHEMBL23901923

SCHEMBL23901923

CCCCNC(CC)COC(=O)CCSc1ccnc(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 2/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PRNP P04156 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL23901922 0.84 THRB (0.38) KMT2AMEN1LMNATHRBTLR2
SCHEMBL19785248 0.83 CYP3A4 (0.50) KMT2ALMNATHRBPDE1APDE1B
SCHEMBL21154729 0.82 CYP3A4 (0.46) LMNATHRBPDE1APDE1BPDE1C
SCHEMBL26471986 0.81 TDP1 (0.36) KMT2AMEN1PDE1APDE1BPDE1C
SCHEMBL27132794 0.78 KMT2A (0.45) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL23901976 0.77 PKM (0.32) KMT2AMEN1PDE1APDE1BPDE1C
SCHEMBL18319841 0.76 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1PRNP
SCHEMBL21383708 0.74 CYP3A4 (0.49) LMNATHRBPDE1APDE1BPDE1C
SCHEMBL31057983 0.74 CYP3A4 (0.49) LMNATHRBPDE1APDE1BPDE1C
SCHEMBL21154771 0.74 TSHR (0.46) KMT2ALMNATHRBPDE1APDE1B

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 KMT2A 1786/4885MEN1 726/4885LMNA 4373/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 KMT2A 987/4885MEN1 1284/4885LMNA 3931/4885

“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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