Sugi Predict

Sugi Predict / Compounds / SCHEMBL21333112

SCHEMBL21333112

SCHEMBL21333112

Cc1cc(C(=O)Cn2cc(Br)ccc2=O)c(C)n1Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 3/20 0.61
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MITF O75030 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL21333146 0.89 S1PR2 (0.72) S1PR2ALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL21318291 0.84 S1PR2 (0.61) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL21333506 0.82 S1PR2 (0.41) S1PR2HTTRAB9ALMNAMAPT
SCHEMBL18038958 0.81 S1PR2 (0.54) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL21332885 0.80 PTGDR2 (0.41) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL18038999 0.80 S1PR2 (0.53) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL18038993 0.79 S1PR2 (0.52) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL18039015 0.79 S1PR2 (0.52) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL21333437 0.79 ALDH1A1 (0.43) S1PR2ALDH1A1SMN1; SMN2MITFHTT
SCHEMBL18038975 0.78 S1PR2 (0.51) S1PR2ALDH1A1SMN1; SMN2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 — — EP disclosed
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof CORNELL UNIVERSITY (US) 2024-04-23 — — US disclosed
EP-3762377-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF Cook, Timothy, H. (US) 2021-01-13 — — EP disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 — — US disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 — — US disclosed
WO-2019173790-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF HLA TIMOTHY (US) 2019-09-12 — — 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-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 S1PR2 601/4885ALDH1A1 421/4885SMN1; SMN2 3979/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 S1PR2 601/4885ALDH1A1 421/4885SMN1; SMN2 3979/4885

“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.