SCHEMBL4914352

SCHEMBL4914352

NC1NC(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
HTR2A P28223 3/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 7/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PBRM1 Q86U86 1/20 0.44
CYP1A2 P05177 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 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
SCHEMBL20418095 0.76 HTR2A (0.46) HSD17B10HTR2ATNKS2KDM4EALDH1A1
SCHEMBL28870083 0.75 HSD17B10 (0.67) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL19573959 0.74 TNKS2 (0.49) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL1567417 0.74 HTR2A (0.40) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL31667419 0.74 TNKS2 (0.49) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL19573960 0.74 TNKS2 (0.49) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL1708832 0.74 TNKS2 (0.49) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL17201050 0.74 HTR2A (0.49) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL22397202 0.74 HSD17B10 (0.51) HSD17B10HTR2AHTR2CHTR2BPARP1
SCHEMBL19786249 0.74 HTR2A (0.49) HSD17B10HTR2AHTR2CHTR2BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467558-B Reaction method for synthesizing 3-aminoisoindolinone under catalysis of nickel 山东省科学院新材料研究所 2022-09-16 CN claimed
CN-110467558-A A kind of nickel catalyzes and synthesizes the reaction method of 3- amido isoindolinone NEW MATERIAL RES INST SHANDONG ACADEMY SCIENCES 2019-11-19 CN claimed
EP-1026207-B1 Pigment particle growth and/or crystal phase directors CIBA SC HOLDING AG (CH) 2006-02-22 EP claimed
CN-115666575-A Compound and use thereof 福宏治疗公司 2023-01-31 CN disclosed
CN-110467558-B Reaction method for synthesizing 3-aminoisoindolinone under catalysis of nickel 山东省科学院新材料研究所 2022-09-16 CN disclosed
CN-110467558-B Reaction method for synthesizing 3-aminoisoindolinone under catalysis of nickel 山东省科学院新材料研究所 2022-09-16 CN disclosed
CN-110467558-B Reaction method for synthesizing 3-aminoisoindolinone under catalysis of nickel 山东省科学院新材料研究所 2022-09-16 CN disclosed
CN-110467556-B Nucleophilic reaction method for catalyzing imine ions and acetophenone by nickel 山东省科学院新材料研究所 2022-09-02 CN disclosed
CN-114213425-A Preparation process of carboxyl-X-rhodamine 合肥华纳生物医药科技有限公司 2022-03-22 CN disclosed
CN-110467558-A A kind of nickel catalyzes and synthesizes the reaction method of 3- amido isoindolinone NEW MATERIAL RES INST SHANDONG ACADEMY SCIENCES 2019-11-19 CN disclosed
CN-110467558-A A kind of nickel catalyzes and synthesizes the reaction method of 3- amido isoindolinone NEW MATERIAL RES INST SHANDONG ACADEMY SCIENCES 2019-11-19 CN disclosed
CN-110467558-A A kind of nickel catalyzes and synthesizes the reaction method of 3- amido isoindolinone NEW MATERIAL RES INST SHANDONG ACADEMY SCIENCES 2019-11-19 CN disclosed
EP-1786773-B1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RES TECH LTD (GB) 2017-03-01 EP disclosed
US-8258175-B2 Prodrug; novel series of compounds which inhibit the MDM2-p53 interaction and have in vitro activity exerting an anti-tumour effect; cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-09-04 US disclosed
US-20080261917-A1 Isoindolin-1-One Derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-10-23 US disclosed
EP-1786773-A1 ISOINDOLIN-1-ONE DERIVATIVES Cancer Research Technology Limited (GB) 2007-05-23 EP disclosed
WO-2006024837-A1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-09 WO disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
EP-0029413-A1 Iminoisoindolinone pigments, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-05-27 EP disclosed
US-4231931-A YELLOW TO RED HUES CIBA-GEIGY CORPORATION (US) 1980-11-04 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 (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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 HSD17B10 957/4885HTR2A 1470/4885HTR2C 289/4885
US-20080261917-A1 Isoindolin-1-One Derivatives HCN3, NHERF1, SIGMAR1 HSD17B10 1874/4885HTR2A 1519/4885HTR2C 1000/4885

“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.