SCHEMBL2435879

SCHEMBL2435879

Brc1nc(I)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 2/20 0.44
LTA4H P09960 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.42
FFAR1 O14842 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
NPC1 O15118 1/20 0.42
MPO P05164 1/20 0.41
MAOB P27338 1/20 0.41
LIPE Q05469 1/20 0.41
FOLH1 Q04609 1/20 0.41
APP P05067 1/20 0.41
SLC6A4 P31645 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
SCHEMBL22850860 0.81 MAPT (0.43) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL24930498 0.81 MPO (0.50) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL2415179 0.81 APP (0.53) MAPTSMN1; SMN2RAB9ANPC1MAOB
SCHEMBL15577719 0.81 L3MBTL1 (0.47) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL31394965 0.80 SMN1; SMN2 (0.50) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL6639600 0.79 MAPT (0.44) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL3947830 0.79 SMN1; SMN2 (0.58) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL20616563 0.79 HTR1A (0.47) L3MBTL1MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL8695151 0.79 USP28 (0.43) L3MBTL1MAPTTDP1MAPK1MAPK14
SCHEMBL31339028 0.78 SYK (0.42) L3MBTL1MAPTTDP1MAPK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217811-B Fused tricyclic compounds and application thereof in medicines 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-110903284-B Fused tricyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-05-09 CN disclosed
CN-111217811-A Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2020-06-02 CN disclosed
CN-110903284-A Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2020-03-24 CN disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 WO disclosed
EP-2542077-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
WO-2011109261-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 L3MBTL1 4001/4885MAPT 4512/4885TDP1 82/4885
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B L3MBTL1 2498/4885MAPT 4798/4885TDP1 257/4885
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT L3MBTL1 1517/4885MAPT 220/4885TDP1 479/4885

“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.