SCHEMBL195699

SCHEMBL195699

Cc1onc(-c2ccccc2)c1CCl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
GABRA5 P31644 10/20 0.56
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
PLA2G1B P04054 1/20 0.47
MAPT P10636 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL5773713 0.84 GABRA5 (0.50) GABRA5ALDH1A1NPSR1PKMMAPT
SCHEMBL256699 0.84 PTGS1 (0.59) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL286512 0.83 GABRA5 (0.49) PTGS1PTGS2GABRA5ALDH1A1KMT2A
SCHEMBL935024 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL107436 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL286436 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
Water SCHEMBL27477176 0.81 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL12844155 0.81 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL5018927 0.79 PTGS1 (0.54) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL18885135 0.79 GABRA5 (0.65) PTGS1PTGS2GABRA5ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 EP disclosed
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-7476667-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-01-13 US disclosed
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2008-10-16 US disclosed
US-7405215-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2008-07-29 US disclosed
EP-1805171-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-07-11 EP disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS, INC. 2006-05-11 US disclosed
WO-2006034419-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 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 (6 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-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof PTGDR2, TBXA2R, HCAR2 PTGS1 88/4885PTGS2 23/4885GABRA5 522/4885
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 PTGS1 1237/4885PTGS2 2785/4885GABRA5 1957/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PTGS1 88/4885PTGS2 23/4885GABRA5 522/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 PTGS1 1237/4885PTGS2 2785/4885GABRA5 1957/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS1 2445/4885PTGS2 3560/4885GABRA5 1/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS1 2445/4885PTGS2 3560/4885GABRA5 1/4885

“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.