SCHEMBL4087101

SCHEMBL4087101

Cc1c(-c2ccc(C(=O)N3CCCCC3)s2)noc1C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK14 Q16539 1/20 0.43
YEATS4 O95619 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21230181 0.90 ALDH1A1 (0.45) HPGDALDH1A1MAPK14YEATS4POLB
SCHEMBL21230136 0.87 KMT2A (0.41) ALDH1A1MAPK14NPC1RAB9AKMT2A
SCHEMBL3241197 0.82 HPGD (0.44) HPGDALDH1A1MAPK14YEATS4POLB
SCHEMBL19775142 0.81 YEATS4 (0.46) HPGDALDH1A1MAPK14YEATS4POLB
SCHEMBL3246810 0.81 HPGD (0.45) HPGDALDH1A1MAPK14YEATS4POLB
SCHEMBL19775106 0.81 HPGD (0.45) HPGDALDH1A1MAPK14YEATS4POLB
SCHEMBL3248180 0.81 DAO (0.43) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL21230299 0.81 YEATS4 (0.45) HPGDALDH1A1MAPK14YEATS4POLB
SCHEMBL11361990 0.78 LMNA (0.38) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL20082301 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 US disclosed
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 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-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH HPGD 838/4885ALDH1A1 254/4885MAPK14 3286/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HPGD 838/4885ALDH1A1 254/4885MAPK14 3286/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HPGD 838/4885ALDH1A1 254/4885MAPK14 3286/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HPGD 838/4885ALDH1A1 254/4885MAPK14 3286/4885

“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.