SCHEMBL739192

SCHEMBL739192

ICCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.65
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 1/20 0.40
HRH1 P35367 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 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
SCHEMBL10369304 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL736509 0.97
SCHEMBL16684352 0.92 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL10367667 0.90 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL13831932 0.89 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL20272747 0.85
SCHEMBL11310258 0.85 HRH3 (0.60) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5440143 0.82
SCHEMBL23828672 0.82 HRH3 (0.81) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL4519052 0.82 HRH3 (0.81) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-10640502-B2 Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) NORTHWESTERN UNIVERSITY (US) 2020-05-05 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed
US-20170305901-A1 THERAPEUTIC TARGETING OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4) IN CANCERS CHARACTERIZED BY REARRANGEMENTS IN THE MIXED LINEAGE LEUKEMIA GENE (MLL-r) NORTHWESTERN UNIVERSITY (US) 2017-10-26 US disclosed
US-9701678-B2 Small-molecule HSP90 inhibitors MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2017-07-11 US disclosed
US-20170182023-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SAVANNAH STATE UNIVERSITY 2017-06-29 US disclosed
US-9532983-B2 Benzofuran compounds, compositions, kits and/or methods thereof SAVANNAH STATE UNIVERSITY (US) 2017-01-03 US disclosed
EP-1689395-B1 VINCA DERIVATIVES ALBANY MOLECULAR RES INC (US) 2016-02-17 EP disclosed
US-20150133498-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SAVANNAH STATE UNIVERSITY 2015-05-14 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-4751302-A ANTIINFLAMMATORY, ANTIULCER AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-14 US disclosed
US-4585869-A ANTIINFLAMMATORY, ANALGESIC, ANTIULCER ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-04-29 US disclosed
US-4549023-A ANTINFLAMMATORY AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-22 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
US-4474964-A 3-Aminoindazole derivatives ASAHI, KASEI, KOGYO, KABUSHIKI, KAISHA (JP) 1984-10-02 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed
US-3969392-A PARASITICIDE, BACTERICIDE, ANTIINFLAMMATORY, SURFACTANT E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed
US-3935230-A α, α, α, α', α', α'-Hexafluorodi-m-tolylamine derivatives E. R. SQUIBB & SONS, INC. (US) 1976-01-27 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-20150133498-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SIGMAR1, OPRM1, OPRL1 HRH3 252/4885CYP1A2 194/4885MAPK1 3888/4885
US-20170305901-A1 THERAPEUTIC TARGETING OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4) IN CANCERS CHARACTERIZED BY REARRANGEMENTS IN THE MIXED LINEAGE LEUKEMIA GENE (MLL-r) IRAK4, IRAK1, IRAK2 HRH3 1408/4885CYP1A2 4642/4885MAPK1 155/4885
US-20170182023-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SIGMAR1, OPRM1, OPRL1 HRH3 252/4885CYP1A2 194/4885MAPK1 3888/4885
US-10640502-B2 Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) IRAK4, IRAK1, IRAK2 HRH3 1408/4885CYP1A2 4642/4885MAPK1 155/4885

“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.