SCHEMBL4649362

SCHEMBL4649362

CCOc1ccc(Br)c(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 2/20 0.42
PLK1 P53350 1/20 0.42
MEN1 O00255 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
SCHEMBL28281865 0.88 PLA2G2A (0.47) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL12687133 0.88 MAOA (0.52) KDM4ECYP1A2CYP2C19HPGDTTBK1
SCHEMBL31459933 0.87 KDM4E (0.54) KDM4ETDP1KMT2ACYP1A2CYP2C19
SCHEMBL31225318 0.87 KDM4E (0.50) KDM4ETDP1KMT2ACYP1A2PKM
SCHEMBL20429979 0.86 KMT2A (0.45) KDM4ETDP1KMT2ACYP1A2CYP2C19
SCHEMBL21543853 0.85 TDP1 (0.55) KDM4ETDP1KMT2ACYP1A2CYP2C19
SCHEMBL13213369 0.84 CYP1A2 (0.48) KDM4EKMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL3988817 0.83 KDM4E (0.57) KDM4ETDP1KMT2ACYP1A2CYP3A4
SCHEMBL4649128 0.83 TSHR (0.60) KDM4EKMT2ACYP1A2PKMHPGD
SCHEMBL9197444 0.83 XDH (0.53) KDM4EKMT2ACYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066359-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-27 US disclosed
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
CN-116354961-A Somatostatin receptor 5 antagonist, and pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-06-30 CN disclosed
CN-109970797-A Hydroxyformamide derivatives and application thereof 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-07-05 CN disclosed
CN-106103431-B Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-03-15 CN disclosed
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
CN-1898197-A Novel compound TANABE SEIYAKU CO (JP) 2007-01-17 CN disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM KDM4E 2476/4885TDP1 1099/4885KMT2A 3401/4885
US-20250066359-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SSTR5, SSTR2, SSTR3 KDM4E 4363/4885TDP1 3987/4885KMT2A 4696/4885

“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.