SCHEMBL3228969

SCHEMBL3228969

CCOc1ccc2c(c1)C(C)(c1ccccc1Cl)C(=O)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.40
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
AVPR1A P37288 2/20 0.38
ALPL P05186 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 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
SCHEMBL7472226 0.91 AVPR1B (0.41) AVPR1BMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL7478297 0.91 AVPR1B (0.40) AVPR1BMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3231336 0.90 AVPR1B (0.48) AVPR1BAVPR1AAVPR2OXTRGPR65
SCHEMBL3231270 0.88 AVPR1B (0.41) AVPR1BAVPR1AAVPR2OXTRGPR65
SCHEMBL3272128 0.83 AVPR1A (0.41) AVPR1BMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3231620 0.82 AVPR1B (0.40) AVPR1BAVPR1AAVPR2OXTRGPR65
SCHEMBL3237260 0.82 AVPR1A (0.56) AVPR1BMAPTLMNASMN1; SMN2AVPR1A
SCHEMBL3230001 0.81 AVPR1A (0.39) AVPR1BMAPTLMNASMN1; SMN2AVPR1A
SCHEMBL3231614 0.81 AVPR1B (0.40) AVPR1BAVPR1AAVPR2OXTRGPR65
SCHEMBL7471393 0.79 AVPR1B (0.49) AVPR1BAVPR1AAVPR2OXTRGPR65

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
EP-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP disclosed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
EP-2097374-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008087278-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI-AVENTIS (FR) 2008-07-24 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 (1 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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B AVPR1B 3/4885MAPT 3330/4885LMNA 3010/4885

“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.