SCHEMBL1045822

SCHEMBL1045822

[CH2]CCCCCc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.55
▸ IDO1 P14902 2/20 0.48
▸ AGXT P21549 2/20 0.48
▸ MAOB P27338 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR1 P21554 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
SCHEMBL9305800 1.00 TAAR1 (0.55) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL8555409 0.98 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL1044622 0.92 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL19524669 0.90 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL28585404 0.84 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL16203114 0.84 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL30444743 0.84 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL1007645 0.84 TAAR1 (0.63) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL5240585 0.83 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL15810321 0.82 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
CN-102895230-A Antituberculous composition comprising oxazole compounds OTSUKA PHARMA CO LTD 2013-01-30 — — CN disclosed
CN-101277740-B Antituberculous composition comprising azole compound OTSUKA PHARMA CO LTD 2012-12-05 — — CN disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 — — EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 — — US disclosed
CN-101277740-A Antituberculous compositions comprising * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-10-01 — — CN disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 — — EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 — — WO disclosed
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 — — CN disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 — — EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 — — WO disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 — — CN disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 — — EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 — — US disclosed
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 — — CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 — — EP disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 — — CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 — — EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 — — 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 (2 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1385/4885IDO1 187/4885AGXT 324/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1385/4885IDO1 187/4885AGXT 324/4885

“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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