SCHEMBL9966080

SCHEMBL9966080

Cn1nc(-c2ccc(CN3CCCCC3)s2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SIGMAR1 Q99720 3/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTGDR Q13258 1/20 0.38
▸ NEK2 P51955 1/20 0.37
▸ INPPL1 O15357 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ IKBKE Q14164 2/20 0.36
▸ TBK1 Q9UHD2 2/20 0.36

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
SCHEMBL13008472 0.91 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL1594145 0.90 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL1594835 0.88 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBSIGMAR1
SCHEMBL15905581 0.87 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL1594036 0.87 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBSIGMAR1
SCHEMBL1594222 0.86 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL14953395 0.85 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1POLBSIGMAR1
SCHEMBL12620551 0.80 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL4244410 0.78 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL4246156 0.76 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1POLBPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 — — US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
EP-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 — — EP disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 — — US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 — — US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — US disclosed
WO-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 — — WO disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 — — US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 — — 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 (3 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-20100317648-A1 THERAPEUTIC COMPOUNDS MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885L3MBTL1 1819/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885GAA 400/4885L3MBTL1 2501/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885L3MBTL1 1819/4885

“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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