Sugi Predict

Sugi Predict / Compounds / SCHEMBL2908642

SCHEMBL2908642

SCHEMBL2908642

Cc1ccc(CNc2ccc3c(COc4ccccc4)cccc3n2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ TRPC5 Q9UL62 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35

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
SCHEMBL2908631 0.83 NPC1 (0.47) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2907999 0.82 NPC1 (0.46) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2249125 0.82 NPC1 (0.46) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2909843 0.82 NPC1 (0.46) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2901765 0.82 NPC1 (0.45) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2907734 0.82 NPC1 (0.46) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2907933 0.82 NPC1 (0.44) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2902477 0.80 KDM4E (0.47) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2250707 0.79 NPC1 (0.47) NPC1RAB9ATSHRKMT2AHTT
SCHEMBL2248304 0.79 NPC1 (0.47) NPC1RAB9ATSHRKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 — — US claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 — — US claimed
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 — — CN disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 — — US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 — — EP disclosed
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 — — CN disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 — — EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 — — WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 — — 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 (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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 NPC1 1573/4885RAB9A 1336/4885TSHR 2566/4885

“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.