SCHEMBL747165

SCHEMBL747165

COc1cncc(OC)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.45
PRKDC P78527 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35

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
SCHEMBL16078299 0.87 ERN1 (0.41) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL18297672 0.86 ERN1 (0.40) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL15065874 0.86 ERN1 (0.53) ERN1PRKDCALDH1A1TDP1CA12
SCHEMBL31627517 0.86 ERN1 (0.40) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL4981553 0.86 ERN1 (0.40) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL23641164 0.86 ERN1 (0.40) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL16237591 0.85 ERN1 (0.37) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL16072968 0.82 ERN1 (0.38) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL29935710 0.76 ALDH1A1 (0.47) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL23536227 0.74 ALDH1A1 (0.45) ERN1PRKDCALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-107922401-B 4-hydroxy-3- (heteroaryl) pyridin-2-one APJ agonists for the treatment of cardiovascular disorders 百时美施贵宝公司 2021-04-16 CN disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
CN-112574175-A Quinoline compound, preparation method and application thereof 上海阳帆医药科技有限公司 2021-03-30 CN disclosed
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
EP-2797597-B1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US disclosed
CN-1169792-C Substituted vinylpyridine derivatives and medicaments containing them ������ҩ��ʽ���� 2004-10-06 CN disclosed
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
CN-1206407-A Substituted vinylpyridine derivatives and medicaments containing them SS PHARMACEUTICAL CO (JP) 1999-01-27 CN disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 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 (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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 ERN1 362/4885PRKDC 1382/4885ALDH1A1 1792/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS ERN1 2378/4885PRKDC 2782/4885ALDH1A1 1565/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ERN1 4304/4885PRKDC 2920/4885ALDH1A1 43/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB ERN1 4304/4885PRKDC 2920/4885ALDH1A1 43/4885

“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.