SCHEMBL3250596

SCHEMBL3250596

CCOC(=O)C1Cc2cc(OC)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 7/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL1321069 0.91 ALOX15 (0.44) ALOX15ALDH1A1POLBTDP1HPGD
SCHEMBL27888762 0.87 BRD4 (0.38) ALDH1A1TDP1HPGDCYP1A2HSD17B10
SCHEMBL5567814 0.86 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL1760643 0.86 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL7286562 0.86 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL862579 0.86 BRD4 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27792278 0.85 PKM (0.46) ALDH1A1POLBHPGDSMN1; SMN2HSD17B10
SCHEMBL10256197 0.85 MEN1 (0.41) ALDH1A1POLBHPGDSMN1; SMN2CYP1A2
SCHEMBL10909269 0.84 GAA (0.40) ALDH1A1POLBTDP1HPGDCYP1A2
SCHEMBL11956678 0.83 TNF (0.41) ALDH1A1POLBHPGDSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330454-B1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2010-05-19 EP disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
EP-1330454-A4 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2008-03-19 EP disclosed
EP-1330454-A1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2003-07-30 EP disclosed
US-6413983-B1 COUPLING EPOXIDE WITH INDOLE OR QUINOLINE COMPOUND; PROTECT-ING HEART, BRAIN, RETINA AND NEURONAL CELL FROM ?ISCHEMIA-REPERFUSION? INJURY; SUPPRESSING LIPID PEROXIDATION DONGBU HANNONG CHEMICAL CO. LTD. (KR) 2002-07-02 US disclosed
WO-2002030925-A1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2002-04-18 WO disclosed
EP-0024852-B1 2,3-DIHYDRO-1H-INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR PREPARATION AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-03 EP disclosed
US-4599357-A 1-mercaptoalkanoylindoline-2-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-07-08 US disclosed
US-4454292-A CHEMICAL INTERMEDIATES OF ANGIOTENSIN CONVERTING ENZYNE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-06-12 US disclosed
US-4454291-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-06-12 US disclosed
US-4396773-A 1,1'-[Dithiobis(2-alkyl-1-oxo-3,1-propanediyl)]-bis[2,3-dihydro-1H-indole-2-carboxylic acids and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1983-08-02 US disclosed
US-4385180-A 10,10a-Dihydro-1H-thiozino[4,3-a,]-indole-1,4(3H)-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-24 US disclosed
US-4350633-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-21 US disclosed
US-4303583-A 1H,5H-[1,4]Thiazepino[4,3-a]indole-1,5-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1981-12-01 US disclosed
EP-0024852-A1 2,3-Dihydro-1H-indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing these derivatives and their preparation AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-11 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A ALOX15 4231/4885ALDH1A1 3904/4885POLB 4521/4885

“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.