SCHEMBL4588931

SCHEMBL4588931

COc1ccccc1C1(Cl)C(=O)Nc2ccc(C)c(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
HTR7 P34969 1/20 0.35
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NQO2 P16083 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SCN9A Q15858 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNMA1 Q12791 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
TGM2 P21980 1/20 0.33
PGR P06401 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL4590314 0.83 KMT2A (0.63) KMT2AMAPTSIGMAR1SCN9APDK2
SCHEMBL2537802 0.82 KMT2A (0.54) KMT2AHTR7MAPTSIGMAR1SCN9A
SCHEMBL31317648 0.79 KMT2A (0.63) KMT2AHTR7SIGMAR1PDK2PDK4
SCHEMBL4590104 0.78 KMT2A (0.46) KMT2AMAPTKCNQ3KCNQ2KCNQ4
SCHEMBL4588898 0.78 KMT2A (0.46) KMT2AMAPTKCNQ3KCNQ2KCNQ4
SCHEMBL1795899 0.77 KMT2A (0.51) KMT2AHTR7MAPTKCNQ3KCNQ2
SCHEMBL5357970 0.77 KMT2A (0.51) KMT2AHTR7MAPTPDK2PDK4
SCHEMBL4590594 0.76 KMT2A (0.49) KMT2AMAPTSIGMAR1NQO2SCN9A
SCHEMBL4589642 0.74 CBX7 (0.44) KMT2AHTR7KCNQ3KCNQ2KCNQ4
SCHEMBL4590061 0.73 CBX7 (0.47) KMT2AHTR7KCNQ3KCNQ2KCNQ4

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-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
EP-1259505-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US disclosed
US-6596732-B2 Their solvates and/or hydrates exhibiting an affinity and a selectivity for arginine-vasopressin V1b receptors or for both V1b and V1a receptors. hormone known for its antidiuretic effect and its effect in regulating arterial pressure. SANOFI-SYNTHELABO (FR) 2003-07-22 US disclosed
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-06-12 US disclosed
EP-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 EP disclosed
EP-1259505-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-11-27 EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 WO disclosed
WO-2001064668-A2 1,3-DIHYDRO-2H-INDOL-2-ONE, AND THEIR USE AS V1B OR BOTH V1B AND V1A ARGININE-VASOPRESSIN LIGAND RECEPTORS SANOFI-SYNTHELABO (FR) 2001-09-07 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 (3 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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 KMT2A 4115/4885HTR7 878/4885MAPT 2716/4885
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same AVPR2, AVPR1B, AVPR1A KMT2A 3824/4885HTR7 66/4885MAPT 1941/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A KMT2A 3798/4885HTR7 129/4885MAPT 1960/4885

“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.