SCHEMBL29521075

SCHEMBL29521075

C[S+]([O-])c1cccc2cn[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.50
▸ MAPT P10636 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1911926 0.71 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL29468200 0.71 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL6983718 0.70 NOS1 (0.53) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL3064844 0.70 NOS1 (0.63) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL14231151 0.69 NOS1 (0.61) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL5483794 0.68 HPGD (0.62) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL104360 0.67 NOS1 (1.00) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL276869 0.67 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL655480 0.67 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL12930782 0.67 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E

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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 — — US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 — — 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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 NOS1 2864/4885MAPT 3659/4885HSD17B10 1287/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 NOS1 2864/4885MAPT 3659/4885HSD17B10 1287/4885

“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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