Sugi Predict

Sugi Predict / Compounds / SCHEMBL21333477

SCHEMBL21333477

SCHEMBL21333477

Cc1nc(C(=O)Cn2cc(Br)ccc2=O)c(C)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL21333506 0.89 S1PR2 (0.41) S1PR2PTGDR2MAPTKDM4EGALR3
SCHEMBL21333146 0.81 S1PR2 (0.72) S1PR2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL21333028 0.80 CYP19A1 (0.47) S1PR2MAPK1CYP1A2GAAPTGDR2
SCHEMBL21333334 0.77 ALDH1A1 (0.51) S1PR2ALDH1A1MAPK1MAPTKDM4E
SCHEMBL21332946 0.76 S1PR2 (0.47) S1PR2ALDH1A1MAPK1CYP2D6CYP2C19
SCHEMBL21333303 0.76 POLB (0.57) S1PR2ALDH1A1MAPK1GAAPTGDR2
SCHEMBL21333387 0.74 PTGDR2 (0.41) S1PR2PTGDR2MAPTKDM4EKMT2A
SCHEMBL15997829 0.74 NOTUM (0.56) ALDH1A1MAPK1GAAMAPTKDM4E
SCHEMBL21333177 0.74 PTGER1 (0.48) S1PR2CYP1A2GAAPTGDR2KMT2A
SCHEMBL21333196 0.73 LMNA (0.59) ALDH1A1MAPK1MAPTKDM4EKMT2A

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 421/4885MAPK1 197/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 S1PR2 601/4885ALDH1A1 421/4885MAPK1 197/4885

“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.