SCHEMBL1308478

SCHEMBL1308478

O=C(CCCCBr)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.79
▸ L3MBTL1 Q9Y468 2/20 0.79
▸ MAPT P10636 2/20 0.79
▸ LMNA P02545 1/20 0.79
▸ HDAC1 Q13547 7/20 0.70
▸ HDAC8 Q9BY41 6/20 0.70
▸ HDAC3 O15379 2/20 0.70
▸ HDAC4 P56524 2/20 0.70
▸ HDAC7 Q8WUI4 2/20 0.70
▸ HDAC2 Q92769 2/20 0.70
▸ HDAC10 Q969S8 2/20 0.70
▸ HDAC11 Q96DB2 2/20 0.70
▸ HDAC6 Q9UBN7 2/20 0.70
▸ HDAC9 Q9UKV0 2/20 0.70
▸ HDAC5 Q9UQL6 2/20 0.70
▸ 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
SCHEMBL7384285 0.98 TDP1 (0.83) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL559268 0.98 TDP1 (0.83) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL7393801 0.98 TDP1 (0.83) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL28609280 0.98 TDP1 (0.83) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL2116192 0.96 TDP1 (0.72) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL7068671 0.91 TDP1 (0.95) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL27516050 0.89 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL9057671 0.89 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL8519287 0.89 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL2210515 0.86 GSK3B (0.67) TDP1L3MBTL1MAPTLMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547906-B Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV 2014-08-06 — — CN disclosed
EP-2244575-B1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-07-17 — — EP disclosed
EP-1112254-B1 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PROD INC (US) 2013-02-27 — — EP disclosed
US-8053455-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-11-08 — — US disclosed
US-20110201621-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-08-18 — — US disclosed
US-7947664-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 — — US disclosed
US-20100292192-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-11-18 — — US disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 — — US disclosed
EP-2099761-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 — — EP disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 — — WO disclosed
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 — — EP disclosed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 — — US disclosed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 — — US disclosed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 — — EP disclosed
US-4430342-A CARDIOVASCULAR DISORDERS Hidaka, Hiroyoshi (JP) 1984-02-07 — — US disclosed
US-4421754-A ANTICOAGULANTS, MUSCLE RELAXANT Hidaka, Hiroyoshi (JP) 1983-12-20 — — US disclosed
EP-0076952-A1 N-acyl-3-(4-(benzoylalkyl)piperazin-1-yl)-sydnonimine compound, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-04-20 — — EP disclosed
EP-0073345-A2 Sydnonimine derivatives, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-03-09 — — 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 (3 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-20110201621-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN TDP1 4817/4885L3MBTL1 4227/4885MAPT 3910/4885
US-20100292192-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN TDP1 4821/4885L3MBTL1 4274/4885MAPT 3830/4885
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 TDP1 4452/4885L3MBTL1 4258/4885MAPT 3501/4885

“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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