Sugi Predict

Sugi Predict / Compounds / SCHEMBL5758654

SCHEMBL5758654

SCHEMBL5758654

Cn1c(=O)cc(-c2nc(-c3ccccc3)cs2)c2cc(C(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ IDH1 O75874 5/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EIF4E P06730 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ FNTA P49354 1/20 0.40

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
SCHEMBL5757868 0.85 MAPT (0.39) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5516658 0.84 HSD17B10 (0.57) SMN1; SMN2KDM4EMAPTCYP3A4HSD17B10
SCHEMBL5758174 0.84 FNTA (0.47) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL5758351 0.83 FNTA (0.49) KDM4EMEN1KMT2AIDH1CYP3A4
SCHEMBL30419724 0.78 FNTA (0.56) SMN1; SMN2KMT2ACYP3A4HSD17B10ALDH1A1
SCHEMBL1538260 0.78 FNTA (0.56) SMN1; SMN2KMT2ACYP3A4HSD17B10ALDH1A1
SCHEMBL5757639 0.77 FNTA (0.71) KDM4EMEN1KMT2ACYP3A4HSD17B10
SCHEMBL5753828 0.77 FNTA (0.71) CYP3A4FNTAFNTB
SCHEMBL5754306 0.77 CYP3A4 (0.55) CYP3A4FNTAFNTB
SCHEMBL5757851 0.77 MAPT (0.39) SMN1; SMN2KDM4EMEN1KMT2AMAPT

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
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives ANGIBAUD PATRICK R 2006-06-22 — — US disclosed
EP-1351954-B1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-05-03 — — EP disclosed
US-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 — — US disclosed
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 — — EP disclosed
WO-2002051834-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 — — 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-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline FNTA, FNTB, ACAT2 NPC1 67/4885RAB9A 183/4885SMN1; SMN2 4876/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB NPC1 54/4885RAB9A 146/4885SMN1; SMN2 4876/4885

“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.