SCHEMBL4590075

SCHEMBL4590075

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
HTR5A P47898 2/20 0.48
CASP1 P29466 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GSK3B P49841 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNB4 O00305 1/20 0.37

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
SCHEMBL7470476 0.82 GSK3B (0.42) CASP1ALDH1A1GSK3BSMN1; SMN2CACNB4
SCHEMBL4590172 0.81 HTR2C (0.41) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL5431073 0.76 CDYL2 (0.43) HTR7CASP1ALDH1A1KDM4EGLA
SCHEMBL29242296 0.74 LDHA (0.42) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL194132 0.73 MAPT (0.43) CASP1ALDH1A1KDM4EGLAGAA
SCHEMBL7852811 0.73 IDO1 (0.49) CASP1ALDH1A1KDM4EGLAGAA
SCHEMBL5678203 0.70 MAPT (0.44) CASP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL5435436 0.70 MAPT (0.56) CASP1GAACACNB4CACNA1ACACNA1G
SCHEMBL5674346 0.69 TP53 (0.41) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL4589633 0.69 TSHR (0.41) CASP1ALDH1A1KDM4EGLAGAA

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 4 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

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 HTR1A 315/4885HTR1D 229/4885HTR2C 1347/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A HTR1A 43/4885HTR1D 45/4885HTR2C 108/4885

“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.