SCHEMBL4726170

SCHEMBL4726170

O=C1OC(Cl)(c2ccccc2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.61
GOPC Q9HD26 1/20 0.61
NPSR1 Q6W5P4 8/20 0.51
GAA P10253 2/20 0.51
PKM P14618 1/20 0.50
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL1820782 0.87 CYP2D6 (0.48) CFTRGOPCNPSR1GAAPKM
SCHEMBL1823331 0.86 CFTR (0.46) CFTRGOPCNPSR1GAAPKM
SCHEMBL4726524 0.82 CFTR (0.46) CFTRGOPCNPSR1GAAPKM
SCHEMBL4729629 0.80 OPRM1 (0.53) CFTRGOPCNPSR1GAAPKM
SCHEMBL4728501 0.78 HCAR3 (0.44) CFTRGOPCNPSR1CYP2C9CYP2C19
SCHEMBL4727744 0.78 CFTR (0.44) CFTRGOPCNPSR1GAAPKM
SCHEMBL4725746 0.76 TP53 (0.48) CFTRGOPCNPSR1GAACYP2C9
SCHEMBL17922501 0.76 CFTR (0.55) CFTRGOPCNPSR1GAAPKM
SCHEMBL3886398 0.76 CFTR (1.00) CFTRGOPCNPSR1GAAPKM
SCHEMBL17525320 0.76 CFTR (0.66) CFTRGOPCNPSR1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3086859-A None JP disclosed
JP-2117670-A None JP disclosed
EP-1786773-B1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RES TECH LTD (GB) 2017-03-01 EP 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-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-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
US-20080261917-A1 Isoindolin-1-One Derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-10-23 US disclosed
US-20080261917-A1 Isoindolin-1-One Derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-10-23 US disclosed
WO-2006024837-A1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-09 WO disclosed
WO-2006024837-A1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-09 WO disclosed
JP-H0386859-A ORGANIC PEROXIDE AND ITS USE NIPPON OIL & FATS CO LTD 1991-04-11 JP disclosed
JP-H02117670-A NOVEL ORGANIC PEROXIDE NIPPON OIL & FATS CO LTD 1990-05-02 JP disclosed
US-4688059-A 3-ARYL(OR HETEROARYL)-3-(OXY OR THIO)PHTHALIDE AS REAGENT IN CARBONLESS DUPLICATING SYSTEM THE HILTON-DAVIS CHEMICAL CO. (US) 1987-08-18 US disclosed
US-4661605-A CARBONLESS CUPLICATION AND THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1987-04-28 US disclosed
US-4535172-A FOR CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-08-13 US disclosed
US-4505921-A Sulfonylurea compounds and their use in treating diabetes ADIR, S.A.R.L. (FR) 1985-03-19 US disclosed
US-4500636-A CONTAINING PHENYL SUBSTITUTED ISOBENZOFURAN BLOCKET PHOTOGRAPHIC AGENT FUJI PHOTO FILM CO., LTD. (JP) 1985-02-19 US disclosed
US-4058529-A Polycyclic amino derivatives of pyrrolidone and piperidone CIBA-GEIGY CORPORATION (US) 1977-11-15 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 (1 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-20080261917-A1 Isoindolin-1-One Derivatives HCN3, NHERF1, SIGMAR1 CFTR 408/4885GOPC 4613/4885NPSR1 152/4885

“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.