SCHEMBL23901922

SCHEMBL23901922

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.38
▸ MAPT P10636 6/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ TSHR P16473 4/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL23901946 0.86 TSHR (0.41) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24034328 0.84 THRB (0.43) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23901923 0.84 KMT2A (0.32) THRBMAPTMEN1KMT2ARXFP1
SCHEMBL22302407 0.81 THRB (0.38) THRBMEN1KMT2ARXFP1ALDH1A1
SCHEMBL23902147 0.78 CYP3A4 (0.43) THRBALDH1A1TSHRCYP3A4LMNA
SCHEMBL23901980 0.73 ACACB (0.32) —
SCHEMBL24151881 0.73 CYP3A4 (0.42) THRBALDH1A1TSHRCYP3A4LMNA
SCHEMBL24152572 0.72 CYP3A4 (0.40) THRBALDH1A1TSHRCYP3A4LMNA
SCHEMBL24151046 0.72 CYP3A4 (0.40) THRBALDH1A1TSHRCYP3A4LMNA
SCHEMBL21856277 0.72 CYP3A4 (0.39) THRBALDH1A1TSHRCYP3A4LMNA

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 THRB 3360/4885MAPT 3446/4885SMN1; SMN2 2016/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 THRB 3525/4885MAPT 975/4885SMN1; SMN2 678/4885

“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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