SCHEMBL4590201

SCHEMBL4590201

COc1c(Cl)ccc2c1C(Cl)(c1ccccc1Cl)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
CHEK1 O14757 1/20 0.34
PGR P06401 3/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
HTR6 P50406 1/20 0.34
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL Q9Y232 1/20 0.33

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
SCHEMBL4588849 0.82 KMT2A (0.48) KMT2APDK2PDK4HTR1AHTR1D
SCHEMBL7467060 0.80 PGR (0.44) KMT2ACHEK1PGRHTR6MAOB
SCHEMBL4589651 0.77 MAPT (0.48) KMT2APDK2PDK4CHEK1GRIN1
SCHEMBL194001 0.77 HTR6 (0.43) KMT2ACHEK1PGRHTR6KDM4E
SCHEMBL2537802 0.76 KMT2A (0.54) KMT2APDK2PDK4HTR7CHEK1
SCHEMBL7470880 0.74 CYP1A2 (0.46) KMT2APDK2PDK4PGRKDM4E
SCHEMBL5430507 0.74 AKR1C3 (0.48) KMT2APDK2PDK4HTR1AHTR7
SCHEMBL4589579 0.72 KMT2A (0.43) KMT2APDK2PDK4GRIN1GRIN2A
SCHEMBL7460367 0.71 MAOB (0.48) KMT2APDK2HTR7PGRMAOB
SCHEMBL4588931 0.70 KMT2A (0.47) KMT2APDK2PDK4HTR7PGR

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 6 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
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
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
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

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-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 4115/4885PDK2 4407/4885PDK4 4122/4885
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 3798/4885PDK2 1674/4885PDK4 1897/4885

“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.