SCHEMBL349741

SCHEMBL349741

NC(=O)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
SMYD3 Q9H7B4 2/20 0.56
NOS1 P29475 3/20 0.54
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
OGT O15294 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESR1 P03372 1/20 0.44
KMO O15229 1/20 0.44
PSMB8 P28062 1/20 0.44
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL14333454 0.86 NOS1 (0.54) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL29771053 0.84 KDM4E (0.67) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL118684 0.84 KDM4E (0.67) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL2998809 0.83 PARP1 (0.52) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL2316982 0.83 KDM4E (0.69) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL2546849 0.83 CREBBP (0.69) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL6992123 0.83 CREBBP (0.65) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL9472025 0.82 KDM4E (0.73) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL6992124 0.79 CREBBP (0.60) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL13146791 0.79 CREBBP (0.60) CREBBPKDM4EALDH1A1SMYD3NOS1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN claimed
US-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 US claimed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 EP claimed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO claimed
WO-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed
CN-109476664-B Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same 乐高化学生物科学股份有限公司 2021-08-10 CN disclosed
CN-109476664-A New compound as autotaxin inhibitors and the pharmaceutical composition comprising it 乐高化学生物科学股份有限公司 2019-03-15 CN disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 US disclosed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 EP disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 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 (2 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 CREBBP 4405/4885KDM4E 3203/4885ALDH1A1 4088/4885
US-20090170901-A1 Benzoyl Urea Derivatives OPRM1, GRIN2C, GRIN3A CREBBP 1514/4885KDM4E 2328/4885ALDH1A1 2126/4885

“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.