SCHEMBL226290

SCHEMBL226290

Nc1cc(-c2ccc(F)cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
HDAC6 Q9UBN7 3/20 0.44
ASIC1 P78348 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CXCR1 P25024 1/20 0.43
TDO2 P48775 1/20 0.43
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
RET P07949 1/20 0.41
ACR P10323 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL474220 0.80 PTPN1 (0.56) NPC1RAB9ATP53MAPTHTT
SCHEMBL26672161 0.80 ALDH1A1 (0.58) NPC1RAB9ATP53HDAC6TDP1
SCHEMBL21939148 0.80 NPC1 (0.56) NPC1RAB9ATP53MAPTTDP1
SCHEMBL11257426 0.80 RAB9A (0.57) PTGS2NPC1RAB9AMAPTTDP1
SCHEMBL11276075 0.80 NPC1 (0.56) NPC1RAB9ATP53MAPTTDP1
SCHEMBL11263489 0.79 EPHX2 (0.48) MAPTKMT2ALMNAACRCYP3A4
SCHEMBL1013006 0.79 RAB9A (0.61) PTGS2NPC1RAB9AMAPTTDP1
SCHEMBL31341138 0.78 PTGS2 (0.66) PTGS2NPC1RAB9ATP53MAPT
SCHEMBL26693417 0.77 HSD17B1 (0.46) PTGS2NPC1RAB9ACYP3A4
SCHEMBL2272084 0.76 CYP1A2 (0.54) PTGS2NPC1RAB9ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
CN-107126760-A A kind of ceramic grain filter and its preparation method and application 徐州工程学院 2017-09-05 CN claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
EP-2307023-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-04-13 EP disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 WO disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 WO disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (6 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 PTGS2 4256/4885NPC1 1167/4885RAB9A 334/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PTGS2 4525/4885NPC1 2700/4885RAB9A 1231/4885
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTGS2 559/4885NPC1 206/4885RAB9A 4065/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 PTGS2 4020/4885NPC1 2053/4885RAB9A 2257/4885
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases CDK2, PHKG1, PHKG2 PTGS2 767/4885NPC1 4183/4885RAB9A 2155/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PTGS2 4525/4885NPC1 2700/4885RAB9A 1231/4885

“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.