Sugi Predict

Sugi Predict / Compounds / SCHEMBL21055089

SCHEMBL21055089

SCHEMBL21055089

Nc1cccc2ccn(C(=O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ PARP1 P09874 3/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ OXER1 Q8TDS5 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ ATIC P31939 1/20 0.31

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
SCHEMBL29216392 0.84 NOTUM (0.53) TSHRRAB9AL3MBTL1NOTUMPARP1
SCHEMBL30872018 0.84 NOTUM (0.53) TSHRRAB9AL3MBTL1NOTUMPARP1
SCHEMBL29216394 0.80 OXER1 (0.43) TSHRRAB9AL3MBTL1NOTUMPARP1
SCHEMBL30872017 0.80 OXER1 (0.43) TSHRRAB9AL3MBTL1NOTUMPARP1
SCHEMBL30405639 0.79 RAB9A (0.41) TSHRRAB9AL3MBTL1NOTUMPARP1
SCHEMBL15971447 0.78 NOTUM (0.41) TSHRRAB9AL3MBTL1NOTUMOXER1
SCHEMBL30705807 0.78 FABP4 (0.45) TSHRRAB9AL3MBTL1NOTUMPARP1
SCHEMBL31056496 0.78 NR4A1 (0.46) TSHRRAB9AL3MBTL1NOTUMHSD17B10
SCHEMBL4048895 0.78 NOTUM (0.42) TSHRRAB9AL3MBTL1NOTUMPARP1
Hydrochloric Acid SCHEMBL31056543 0.76 NR4A1 (0.44) TSHRRAB9AL3MBTL1NOTUMHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-02-16 — — US disclosed
US-11324729-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-10 — — US disclosed
EP-3720439-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH The Regents Of The University Of Michigan (US) 2020-10-14 — — EP disclosed
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-20 — — US disclosed
WO-2019113469-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-13 — — 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 (3 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-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 TSHR 4658/4885RAB9A 2714/4885L3MBTL1 405/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 TSHR 4658/4885RAB9A 2714/4885L3MBTL1 405/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 TSHR 4658/4885RAB9A 2714/4885L3MBTL1 405/4885

“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.