SCHEMBL5433609

SCHEMBL5433609

COC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
IDO1 P14902 2/20 0.44
HTR7 P34969 2/20 0.43
MGAM O43451 1/20 0.43
HTR1A P08908 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CBX7 O95931 1/20 0.42
CDYL Q9Y232 1/20 0.42
ADCY8 P40145 1/20 0.41
PGR P06401 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
AKR1B1 P15121 4/20 0.39
ACHE P22303 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL5427630 0.83 IDO1 (0.41) IDO1CBX7CDYLPGRADAMTS5
SCHEMBL7466228 0.79 AKR1C3 (0.45) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL5429819 0.78 HTR6 (0.49) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL5430507 0.77 AKR1C3 (0.48) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL5431598 0.76 ADAMTS5 (0.47) IDO1CBX7CDYLPGRADAMTS5
SCHEMBL7466055 0.76 AKR1C3 (0.45) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL7470907 0.75 AKR1C3 (0.47) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL5345525 0.75 AKR1C3 (0.47) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL7473312 0.75 IDO1 (0.44) AKR1C3IDO1HTR7MGAMHTR1A
SCHEMBL5674318 0.75 KMT2A (0.46) IDO1HTR7MGAMHTR1AGAA

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-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 EP disclosed
US-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2004-03-25 US disclosed
US-6673790-B1 ANTAGONIST OF OXYTOCIN RECEPTORS USED IN COMBINATION WITH ANTAGONIST OF VASOPRESSIN V1A RECEPTORS FOR TREATMENT OF DYSMENORRHEA OR ENDOMETRIOSIS OR CONTROL OF PREMATURE LABOR AND FOR CONTROLLING PREPARATORY LABOR FOR CAESAREAN DELIVERY SANOFI-SYNTHELABO (FR) 2004-01-06 US disclosed
EP-1272468-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS Sanofi-Aventis (FR) 2003-01-08 EP disclosed
WO-2001074775-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-10-11 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-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them OXTR, AVPR2, AVPR1B AKR1C3 1251/4885IDO1 112/4885HTR7 13/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B AKR1C3 1363/4885IDO1 112/4885HTR7 13/4885

“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.