Sugi Predict

Sugi Predict / Compounds / SCHEMBL5557702

SCHEMBL5557702

SCHEMBL5557702

Cc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(Cl)c(F)cc3NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ CHRNA7 P36544 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
SCHEMBL5562711 0.89 KCNQ4 (0.41) CYP17A1CDK9NPC1RAB9ASMN1; SMN2
SCHEMBL5562658 0.89 SMN1; SMN2 (0.39) CYP17A1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27597164 0.88 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5557447 0.88 CYP17A1 (0.48) CYP17A1ALDH1A1AAK1MEN1KMT2A
SCHEMBL5562677 0.87 ALDH1A1 (0.43) CYP17A1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5559220 0.86 CYP17A1 (0.39) CYP17A1ALDH1A1CDK9NPC1RAB9A
SCHEMBL5557258 0.85 CDK8 (0.39) CYP17A1AAK1WNT3A
SCHEMBL5563208 0.85 MEN1 (0.43) CYP17A1ALDH1A1MEN1KMT2A
SCHEMBL5563231 0.84 CYP17A1 (0.35) CYP17A1ALDH1A1CDK9NPC1RAB9A
SCHEMBL5563312 0.83 KMO (0.40) CYP17A1ALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 — — EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 — — US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 — — US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — 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 (1 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 CYP17A1 942/4885ALDH1A1 314/4885CDK9 2580/4885

“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.