SCHEMBL23901946

SCHEMBL23901946

CCCCC(CC)COC(=O)CCSc1ccnc(N2CCOCC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ THRB P10828 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CA2 P00918 1/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23902147 0.92 CYP3A4 (0.43) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28775247 0.88 CYP3A4 (0.42) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL24151881 0.87 CYP3A4 (0.42) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL24034328 0.87 THRB (0.43) TSHRALDH1A1MAPK1THRBMEN1
SCHEMBL23901922 0.86 THRB (0.38) TSHRCYP3A4ALDH1A1THRBMEN1
SCHEMBL24152572 0.86 CYP3A4 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL24151046 0.86 CYP3A4 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21856277 0.85 CYP3A4 (0.39) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21856275 0.85 CYP3A4 (0.39) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL24151803 0.85 CYP3A4 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1

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 8 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
CN-115353509-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-18 — — CN disclosed
CN-111295374-B Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 — — CN disclosed
CN-115052866-A Crystal form of free base of nitrogen-containing heteroaromatic derivative 上海翰森生物医药科技有限公司 2022-09-13 — — CN disclosed
CN-113493440-A Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2021-10-12 — — CN 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
CN-111295374-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-06-16 — — 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-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 TSHR 2910/4885CYP3A4 2552/4885ATM 1717/4885

“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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