SCHEMBL7110841

SCHEMBL7110841

NCCOc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.47
▸ LTA4H P09960 2/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ GPR3 P46089 1/20 0.45
▸ HTR1B P28222 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PTPN7 P35236 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
SCHEMBL1794474 0.92 TAAR1 (0.45) SMN1; SMN2ALDH1A1MAPTTAAR1LTA4H
SCHEMBL1795570 0.89 TAAR1 (0.40) SMN1; SMN2ALDH1A1MAPTRAB9AHPGD
SCHEMBL1797544 0.83 HTR1B (0.39) ALDH1A1MAPTTAAR1HTR1BPDK2
SCHEMBL1796427 0.82 TAAR1 (0.40) ALDH1A1MAPTRAB9ATAAR1LTA4H
SCHEMBL14164769 0.81 LTA4H (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AHPGD
SCHEMBL1796385 0.81 TAAR1 (0.45) SMN1; SMN2ALDH1A1MAPTRAB9ATAAR1
SCHEMBL1795521 0.81 HTR1A (0.38) SMN1; SMN2ALDH1A1MAPTRAB9AHPGD
SCHEMBL7243783 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AHPGD
Trimethylammonium SCHEMBL27709280 0.79 KDM4E (0.48) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL5194191 0.76 TBXAS1 (0.40) SMN1; SMN2ALDH1A1MAPTTAAR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 — — EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 — — US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 — — US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 — — US disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 — — US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 — — 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 (1 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 SMN1; SMN2 4763/4885ALDH1A1 1815/4885MAPT 4602/4885

“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.

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