SCHEMBL1458409

SCHEMBL1458409

CCOc1c(F)cc(N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
KDM1A O60341 2/20 0.39

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
SCHEMBL14524684 0.81 HTR2A (0.38) TSHRTDP1GAAALDH1A1L3MBTL1
SCHEMBL14050116 0.81 GRIN2D (0.40) TSHRKDM4EMAPTGAAALDH1A1
SCHEMBL12231919 0.79 GRIN2D (0.37) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL3367931 0.78 MAPT (0.32) KDM4EMAPTGAAALDH1A1
SCHEMBL507505 0.78 HTR2A (0.46) TSHRHTR2AHTR2CHTR2BTUBB1
SCHEMBL17208971 0.78 TSHR (0.49) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL13088298 0.77 GRIN2D (0.36) TSHRGAAALDH1A1L3MBTL1HTR2A
SCHEMBL15086906 0.77 TAAR1 (0.40) TSHRTDP1KDM4EMAPTGAA
SCHEMBL3800127 0.77 MAPT (0.45) TSHRMAPTGAAALDH1A1L3MBTL1
SCHEMBL16370580 0.77 SYK (0.34) KDM4EMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2021-02-11 US disclosed
US-10711032-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-20180155389-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2018-06-07 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
EP-2797885-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-08-10 EP disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 US disclosed
EP-2602248-A1 Novel pyrrole compounds University Of Leicester (GB) 2013-06-12 EP disclosed
EP-1967519-B1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC (JP) 2012-09-05 EP disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2011-09-01 US disclosed
US-7906508-B2 3,4-dihydrobenzoxazine compounds and inhibitors of vanilloid receptor subtype 1 (VRI) activity JAPAN TOBACCO INC. (JP) 2011-03-15 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
EP-1967519-A1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2008-09-10 EP disclosed
US-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2007-06-28 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 (10 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TSHR 704/4885TDP1 2173/4885KDM4E 2548/4885
US-20180155389-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 TSHR 761/4885TDP1 4502/4885KDM4E 4467/4885
US-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 TSHR 1373/4885TDP1 3922/4885KDM4E 3274/4885
US-10711032-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 TSHR 761/4885TDP1 4502/4885KDM4E 4467/4885
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 TSHR 809/4885TDP1 4455/4885KDM4E 4484/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TSHR 704/4885TDP1 2173/4885KDM4E 2548/4885
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR TSHR 598/4885TDP1 971/4885KDM4E 1392/4885
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 TSHR 1373/4885TDP1 3922/4885KDM4E 3274/4885
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR TSHR 598/4885TDP1 971/4885KDM4E 1392/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 TSHR 809/4885TDP1 4455/4885KDM4E 4484/4885

“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.