SCHEMBL2220115

SCHEMBL2220115

CCCCc1c(C(=O)O)nnn1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
CDC25B P30305 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
DDX3X O00571 1/20 0.37
AGTR1 P30556 2/20 0.37
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAOA P21397 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
SCHEMBL2219573 0.92 HTT (0.43) HTTNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL2217305 0.87 HTT (0.46) HTTNPSR1KCNN4ALDH1A1TP53
SCHEMBL1423244 0.86 REN (0.40) HTTSMN1; SMN2NPSR1KCNN4ALDH1A1
SCHEMBL3456050 0.84 KCNN4 (0.42) HTTSMN1; SMN2NPSR1KCNN4ALDH1A1
SCHEMBL2217374 0.82 ALDH1A1 (0.39) HTTNPSR1KCNN4ALDH1A1POLB
SCHEMBL3455948 0.81 HTT (0.46) HTTNPSR1KCNN4ALDH1A1TP53
SCHEMBL2215462 0.81 HTT (0.43) HTTNPSR1KCNN4ALDH1A1TP53
SCHEMBL3456118 0.81 HPGD (0.42) HTTSMN1; SMN2NPSR1KCNN4ALDH1A1
SCHEMBL20405705 0.78 NPSR1 (0.35) NPC1RAB9ASMN1; SMN2NPSR1KCNN4
SCHEMBL30038081 0.77 HTT (0.65) HTTNPC1RAB9ANPSR1TP53

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
CN-103373985-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-10-28 CN disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
CN-102123990-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2011-07-13 CN disclosed
CN-101918395-A Triazole oxadiazole derivatives MERCK SERONO SA 2010-12-15 CN disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 WO disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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 (4 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 HTT 2520/4885NPC1 4730/4885RAB9A 2114/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HTT 3793/4885NPC1 3316/4885RAB9A 1044/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HTT 3793/4885NPC1 3316/4885RAB9A 1044/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE HTT 3793/4885NPC1 3316/4885RAB9A 1044/4885

“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.