Sugi Predict

Sugi Predict / Compounds / SCHEMBL4968772

SCHEMBL4968772

SCHEMBL4968772

O=C1c2cnccc2CCc2cccc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 1/20 0.41
▸ CYP19A1 P11511 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MIF P14174 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CYP11B2 P19099 5/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL4053483 0.77 CES1 (0.61) CYP19A1ALDH1A1MIFPKMKMT2A
SCHEMBL5338583 0.73 TDP1 (0.62) ALDH1A1MAOAMAOBMAPK1CES1
SCHEMBL14415965 0.72 S100A4 (0.41) CDC25BALDH1A1KMT2AMAOAMAPK1
SCHEMBL30082317 0.69 CYP11B2 (0.49) CDC25BCYP19A1ALDH1A1MIFPKM
SCHEMBL3581879 0.69 CYP11B2 (0.49) CDC25BCYP19A1ALDH1A1MIFPKM
SCHEMBL568118 0.69 AHR (0.41) CES1MAPTNPSR1
SCHEMBL13741459 0.69 CYP19A1 (0.50) CYP19A1ALDH1A1MIFPKMKMT2A
SCHEMBL6388288 0.69 CYP19A1 (0.47) CYP19A1ALDH1A1MIFPKMKMT2A
SCHEMBL6387837 0.69 CYP19A1 (0.47) CYP19A1ALDH1A1MIFPKMKMT2A
Hydrochloric Acid SCHEMBL23406550 0.68 CYP11B2 (0.47) CDC25BCYP19A1ALDH1A1MIFPKM

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-1973882-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2008-10-01 — — EP disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 — — US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 — — WO disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 — — US disclosed
US-20020103207-A1 Farnesyl protein transferase inhibitors TAVERAS ARTHUR G (US) 2002-08-01 — — US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 — — 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS CDC25B 793/4885CYP19A1 1629/4885ALDH1A1 1789/4885
US-20020103207-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, ACAT2 CDC25B 956/4885CYP19A1 2335/4885ALDH1A1 2476/4885

“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.