SCHEMBL16507366

SCHEMBL16507366

COc1ccccc1Oc1cnc(C#N)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AR P10275 5/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NAAA Q02083 1/20 0.43
HPGDS O60760 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL16506561 0.80 MEN1 (0.44) ALDH1A1MAPK1HTTL3MBTL1POLB
SCHEMBL3721302 0.76 AR (0.44) ARNAAASLC6A2SLC6A4SLC6A3
SCHEMBL2185557 0.76 NAAA (0.42) ALDH1A1HTTPOLBGAACA12
SCHEMBL3722003 0.74 SLC22A12 (0.46) ARPOLBGAAHPGDSSLC6A2
SCHEMBL920146 0.74 L3MBTL1 (0.70) ALDH1A1MAPK1HTTL3MBTL1AR
SCHEMBL16506568 0.72 LPAR1 (0.56) ALDH1A1MAPK1HTTL3MBTL1POLB
SCHEMBL3627857 0.71 HTT (1.00) ALDH1A1MAPK1HTTL3MBTL1AR
SCHEMBL11544969 0.71 L3MBTL1 (0.60) ALDH1A1MAPK1HTTL3MBTL1POLB
SCHEMBL3719152 0.71 AR (0.48) ARSLC22A12
SCHEMBL791852 0.69 HTT (0.86) ALDH1A1MAPK1HTTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED 2019-01-10 US disclosed
US-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-21 US disclosed
EP-3036215-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-06-29 EP disclosed
CN-105473548-A Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICALS CO 2016-04-06 CN disclosed
WO-2015025164-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-26 WO disclosed
US-20150057298-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-26 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 (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-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 ALDH1A1 4052/4885MAPK1 2604/4885HTT 4652/4885
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 ALDH1A1 3740/4885MAPK1 2514/4885HTT 4760/4885
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR3 ALDH1A1 4052/4885MAPK1 2604/4885HTT 4652/4885
US-20150057298-A1 NOVEL COMPOUNDS F12, C1R, CHRM1 ALDH1A1 1598/4885MAPK1 3857/4885HTT 2974/4885

“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.