SCHEMBL608613

SCHEMBL608613

O=C(Cl)OC(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP1A2 P05177 3/20 0.43
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ELANE P08246 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL4217288 0.81 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL6880665 0.81 ALDH1A1 (0.67) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2803298 0.81 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL10930919 0.80 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL18269389 0.80 HCAR2 (0.46) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL29592341 0.79 ALDH1A1 (0.62) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL11761107 0.79 ALDH1A1 (0.62) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL16672852 0.77 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL17724583 0.77 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL22035801 0.77 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118068-A Chemical process for preparing phenylpiperidinyl indole derivatives 诺华股份有限公司 2025-06-10 CN disclosed
CN-112513025-B Chemical process for preparing phenylpiperidinyl indole derivatives 诺华股份有限公司 2025-03-25 CN disclosed
US-11578053-B2 Chemical process for preparing phenylpiperidinyl indole derivatives NOVARTIS AG (CH) 2023-02-14 US disclosed
US-20220169630-A1 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES NOVARTIS AG (CH) 2022-06-02 US disclosed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-05-11 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 (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-20220169630-A1 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES IDO1, CYP3A7, PAH ALDH1A1 315/4885TDP1 2642/4885KMT2A 971/4885
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, DNA2 ALDH1A1 1663/4885TDP1 424/4885KMT2A 3185/4885
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 ALDH1A1 1663/4885TDP1 424/4885KMT2A 3185/4885
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents RECQL, DNA2, REV1 ALDH1A1 1263/4885TDP1 377/4885KMT2A 2927/4885
US-11578053-B2 Chemical process for preparing phenylpiperidinyl indole derivatives IDO1, CYP3A7, PAH ALDH1A1 315/4885TDP1 2642/4885KMT2A 971/4885

“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.