SCHEMBL4214531

SCHEMBL4214531

NOc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
IDO1 P14902 3/20 0.53
KDM4E B2RXH2 1/20 0.50
MAOB P27338 4/20 0.49
AOC3 Q16853 1/20 0.49
TDO2 P48775 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44

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
Hydrochloric Acid SCHEMBL2080135 0.98 IDO1 (0.55) TSHRMAPK1IDO1KDM4EMAOB
SCHEMBL9798371 0.82 LTA4H (0.54) TSHRMAPK1IDO1KDM4EMAOB
SCHEMBL15889136 0.78 CYP3A4 (0.47) MAPK1LMNAPKMHSD17B10L3MBTL1
SCHEMBL11527555 0.78 KIF11 (0.51) TSHRMAPK1IDO1KDM4EMAOB
SCHEMBL29782607 0.78 L3MBTL1 (0.58) TSHRMAPK1KDM4EMAOBLMNA
SCHEMBL19890691 0.78 MGLL (0.48) TSHRMAPK1IDO1KDM4EMAOB
SCHEMBL5608697 0.78 TSHR (0.48) TSHRMAPK1IDO1KDM4EMAOB
SCHEMBL167016 0.78 L3MBTL1 (0.58) TSHRMAPK1KDM4EMAOBLMNA
SCHEMBL535445 0.78 TSHR (0.48) TSHRMAPK1IDO1KDM4EMAOB
SCHEMBL27579381 0.78 LTA4H (0.59) TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051346-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-02-13 US disclosed
WO-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 US disclosed
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 US disclosed
US-7312361-B2 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-12-25 US disclosed
US-7312361-B2 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-12-25 US disclosed
US-20060178527-A1 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-10 US disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP 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 (5 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC TSHR 227/4885MAPK1 3204/4885IDO1 1596/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC TSHR 220/4885MAPK1 3109/4885IDO1 916/4885
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation TTR, TTPA, APOB TSHR 1585/4885MAPK1 3987/4885IDO1 3718/4885
US-20250051346-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF GAP43, BDNF, DBH TSHR 4465/4885MAPK1 2218/4885IDO1 3858/4885
US-20060178527-A1 Inhibitors of transthyretin amyloid fibril formation TTR, TTPA, APOB TSHR 1585/4885MAPK1 3987/4885IDO1 3718/4885

“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.