SCHEMBL24034328

SCHEMBL24034328

CCCCOC(=O)CCSc1ccnc(N2CCOCC2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ USP2 O75604 2/20 0.38
▸ THRA P10827 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIK3CA P42336 1/20 0.38

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 0.87 TSHR (0.41) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22302407 0.86 THRB (0.38) THRBALDH1A1HPGDKMT2AMEN1
SCHEMBL23901922 0.84 THRB (0.38) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29187790 0.81 HPGD (0.42) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28642415 0.80 ALDH1A1 (0.45) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23902147 0.78 CYP3A4 (0.43) THRBALDH1A1LMNATSHRMAPK1
SCHEMBL28657678 0.76 THRB (0.40) THRBMAPTALDH1A1LMNATSHR
SCHEMBL18319891 0.76 KMT2A (0.39) THRBMAPTNPC1RAB9AALDH1A1
SCHEMBL29187783 0.76 PIK3CA (0.40) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28895173 0.74 MAPT (0.40) THRBMAPTNPC1RAB9AALDH1A1

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 2 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
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

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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