SCHEMBL2116192

SCHEMBL2116192

O=C(CCCBr)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ L3MBTL1 Q9Y468 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HDAC1 Q13547 5/20 0.64
▸ HDAC8 Q9BY41 5/20 0.64
▸ HDAC3 O15379 1/20 0.64
▸ HDAC4 P56524 1/20 0.64
▸ HDAC7 Q8WUI4 1/20 0.64
▸ HDAC2 Q92769 1/20 0.64
▸ HDAC10 Q969S8 1/20 0.64
▸ HDAC11 Q96DB2 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ HDAC9 Q9UKV0 1/20 0.64
▸ HDAC5 Q9UQL6 1/20 0.64
▸ NPC1 O15118 1/20 0.62
▸ CASP3 P42574 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ SENP8 Q96LD8 1/20 0.62
▸ SENP7 Q9BQF6 1/20 0.62

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
SCHEMBL1308478 0.96 TDP1 (0.79) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL559268 0.94 TDP1 (0.83) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7393801 0.94 TDP1 (0.83) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7384285 0.94 TDP1 (0.83) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL28609280 0.94 TDP1 (0.83) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL2210515 0.86 GSK3B (0.67) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7068671 0.86 TDP1 (0.95) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL1052631 0.86 TDP1 (0.86) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL8519287 0.84 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL27516050 0.84 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 — — US claimed
EP-1150961-B1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2003-10-22 — — EP claimed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 — — US claimed
EP-1150961-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-11-07 — — EP claimed
WO-2000046209-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-08-10 — — WO claimed
US-6037509-A Process for producing 1-bromo-4-phenylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-14 — — US claimed
JP-11292808-A — — None — — JP disclosed
CN-108383708-A A kind of preparation method of alpha-brominated ketone 北京工商大学 2018-08-10 — — CN disclosed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 — — US disclosed
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE API CORPORATION (JP) 2014-05-08 — — US disclosed
EP-2150550-B1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO LTD (KR) 2013-02-27 — — EP disclosed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 — — US disclosed
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 — — EP disclosed
US-4919848-A Process for the quenching of fluorescence, and new cationic naphthalene-peri-dicarboxylic acid imide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-24 — — US disclosed
EP-0217256-A2 Method for quenching fluorescence, and cationic derivatives of naphthalene-peri-dicarboxamide BAYER AG (DE) 1987-04-08 — — EP disclosed
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 — — US disclosed
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 — — US disclosed
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 — — US disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 — — EP disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 — — 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 (4 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-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS OPRL1, OPRD1, TRPV1 TDP1 2372/4885MAPT 3078/4885L3MBTL1 3814/4885
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 TDP1 3186/4885MAPT 2003/4885L3MBTL1 4881/4885
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE PREP, NPEPPS, DNPEP TDP1 2930/4885MAPT 3364/4885L3MBTL1 4557/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 TDP1 3186/4885MAPT 2003/4885L3MBTL1 4881/4885

“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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