SCHEMBL472047

SCHEMBL472047

CC1=C(Cl)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ BCHE P06276 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ CASP6 P55212 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ KMT2A Q03164 3/20 0.36

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
SCHEMBL18457362 0.84 MAOA (0.38) MAOABCHECES1ALDH1A1HSD11B1
SCHEMBL9866710 0.81 MAOA (0.46) MAOABCHECES1ALDH1A1CASP3
SCHEMBL5027873 0.76 MAOA (0.46) MAOABCHECES1ALDH1A1HSD11B1
SCHEMBL29795069 0.76 MAOA (0.46) MAOABCHECES1ALDH1A1HSD11B1
SCHEMBL28417393 0.73 MAOA (0.43) MAOABCHECES1ALDH1A1HSD11B1
SCHEMBL472046 0.73 MAOA (0.43) MAOABCHECES1ALDH1A1CASP3
SCHEMBL10773270 0.73 MAOA (0.43) MAOABCHECES1ALDH1A1HSD11B1
SCHEMBL6516873 0.71 MAOA (0.41) MAOABCHECES1HSD11B1CASP3
SCHEMBL8444226 0.70 HSD11B1 (0.52) MAOABCHECES1ALDH1A1HSD11B1
SCHEMBL23738688 0.70 CYP2A6 (0.41) MAOABCHECES1ALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 — — EP claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 — — EP claimed
EP-3081555-B1 SYNTHESIS OF AN AZASUGAR AND THE INTERMEDIATES THEREOF DIPHARMA FRANCIS SRL (IT) 2017-11-22 — — EP claimed
US-9708263-B2 Synthesis of an azasugar and the intermediates thereof DIPHARMA FRANCIS S.R.L. (IT) 2017-07-18 — — US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 — — US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 — — CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 — — CN disclosed
CN-114085243-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2024-04-26 — — CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
EP-4122932-A1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2023-01-25 — — EP disclosed
EP-1287004-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCIDIN COMPOUND PHARMA MAR, S.A. (ES) 2003-03-05 — — EP disclosed
EP-1280809-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2003-02-05 — — EP disclosed
EP-1185536-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2002-03-13 — — EP disclosed
WO-2001087894-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2001-11-22 — — WO disclosed
WO-2001087895-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCHIDIN COMPOUND PHARMA MAR, S.A. (ES) 2001-11-22 — — WO disclosed
WO-2001077115-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2001-10-18 — — WO disclosed
WO-2000069862-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2000-11-23 — — WO 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-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 MAOA 233/4885BCHE 72/4885CES1 148/4885

“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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