Sugi Predict

Sugi Predict / Compounds / SCHEMBL2531695

SCHEMBL2531695

SCHEMBL2531695

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(Br)c1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ NOTUM Q6P988 2/20 0.34
▸ CRBN Q96SW2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL2538194 0.89 AR (0.38) ALDH1A1KMT2AMEN1ARMAPT
SCHEMBL2580211 0.89 SRD5A1 (0.37) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL2535709 0.81 AR (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL2531412 0.80 MAPT (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL2531931 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL14331318 0.79 SIRT2 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1PARP1
SCHEMBL2530882 0.79 NPC1 (0.53) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2532365 0.79 AR (0.39) ALDH1A1KMT2AMEN1ARMAPT
SCHEMBL2530056 0.79 GAA (0.39) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2535656 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 — — EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 — — US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 — — WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 — — 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SMN1; SMN2 1856/4885ALDH1A1 552/4885KMT2A 661/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SMN1; SMN2 1856/4885ALDH1A1 552/4885KMT2A 661/4885

“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.