Sugi Predict

Sugi Predict / Compounds / SCHEMBL7735556

SCHEMBL7735556

SCHEMBL7735556

CC(c1ccccc1)n1ncc(Br)c(Br)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ XBP1 P17861 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ TRPC5 Q9UL62 1/20 0.40
▸ MITF O75030 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ CREBBP Q92793 5/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL12169426 0.86 FAAH (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13057452 0.85 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7826439 0.82 FAAH (0.47) ALDH1A1RAB9ASMN1; SMN2LMNAFAAH
SCHEMBL9726416 0.78 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12712495 0.76 BRD4 (0.38) FAAHROCK2CREBBP
SCHEMBL12712496 0.76 BRD4 (0.38) FAAHROCK2CREBBP
SCHEMBL15305628 0.76 FAAH (0.42) ALDH1A1NPSR1LMNAFAAHROCK2
SCHEMBL10036282 0.75 RAB9A (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9953649 0.75 RAB9A (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9954004 0.75 RAB9A (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 — — US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 — — US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 — — US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 — — US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 — — US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 — — US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 — — US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
WO-2010147973-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 — — WO disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 — — US disclosed
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 — — US disclosed
WO-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 — — WO disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 — — 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 (7 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885MAPT 318/4885NPC1 630/4885
US-20100137320-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 1823/4885MAPT 294/4885NPC1 457/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1670/4885MAPT 386/4885NPC1 461/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1670/4885MAPT 386/4885NPC1 461/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885MAPT 325/4885NPC1 431/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1719/4885MAPT 330/4885NPC1 428/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885MAPT 318/4885NPC1 630/4885

“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.

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