SCHEMBL4589633

SCHEMBL4589633

O=C1Nc2cc(Cl)c(Cl)cc2C1c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TNKS2 Q9H2K2 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNB3 P54284 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNG7 P62955 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNA1D Q01668 2/20 0.40

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
SCHEMBL7469707 0.88 BRD4 (0.41) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5674294 0.88 BRD4 (0.41) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5675400 0.86 PBRM1 (0.42) TNKS2CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4589629 0.86 SMN1; SMN2 (0.40) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7852811 0.84 IDO1 (0.49) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL194132 0.84 MAPT (0.43) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5435436 0.84 MAPT (0.56) TSHRSLC6A2SLC6A3CACNB4CACNA1A
SCHEMBL7471620 0.83 BRD4 (0.46) KDM4EALDH1A1HPGDHSD17B10SLC6A2
SCHEMBL5675756 0.82 KMT2A (0.46) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5678203 0.81 MAPT (0.44) TSHRSMN1; SMN2KDM4EALDH1A1CASP1

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 12 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-1296976-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2005-01-26 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
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-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 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
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 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 TSHR 245/4885SMN1; SMN2 4445/4885KDM4E 3834/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A TSHR 291/4885SMN1; SMN2 4717/4885KDM4E 3637/4885

“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.