Sugi Predict

Sugi Predict / Compounds / SCHEMBL933916

SCHEMBL933916

SCHEMBL933916

O=Cc1ccccc1-c1noc2c(Br)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ TRIM24 O15164 2/20 0.33
▸ TRIM33 Q9UPN9 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ C1R P00736 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL26982288 0.82 ERN1 (0.40) CYP17A1CYP1A2KMT2AMEN1LMNA
SCHEMBL26982294 0.78 CYP2A6 (0.38) KMT2AMEN1LMNATHRBBLM
SCHEMBL14830642 0.77 CYP17A1 (0.49) CYP17A1CYP1A2KMT2AMEN1LMNA
SCHEMBL6711107 0.76 ESR1 (0.50) KMT2AMEN1LMNATHRBBLM
SCHEMBL14830565 0.74 CYP17A1 (0.50) CYP17A1CYP1A2KMT2AMEN1LMNA
SCHEMBL14633661 0.74 CYP17A1 (0.33) CYP17A1CYP1A2
SCHEMBL14633667 0.74 CYP17A1 (0.33) CYP17A1CYP1A2
SCHEMBL14633662 0.74 CYP17A1 (0.33) CYP17A1CYP1A2
SCHEMBL14633665 0.74 CYP17A1 (0.33) CYP17A1CYP1A2
SCHEMBL14831009 0.73 HTR7 (0.46) KMT2AMEN1LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 — — US disclosed
EP-4301745-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 — — EP disclosed
WO-2022185055-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 — — WO disclosed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 — — US disclosed
EP-2473489-B1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-08-21 — — EP disclosed
US-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2013-01-24 — — US disclosed
EP-2473489-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES MSD Oss B.V. (NL) 2012-07-11 — — EP disclosed
WO-2011003895-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2011-01-13 — — 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 (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-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES CNR2, CNR1, OPRL1 CYP17A1 3095/4885CYP1A2 283/4885KMT2A 2511/4885
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 CYP17A1 4800/4885CYP1A2 1224/4885KMT2A 3966/4885

“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.