SCHEMBL3236940

SCHEMBL3236940

CCOc1ccc2c(c1)C(C)(c1cc(C(=O)NCCN3CCOCC3)ccc1Cl)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
UBE2N P61088 1/20 0.42
CYP2C9 P11712 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
RECQL P46063 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
SCHEMBL3227252 0.94 AVPR1A (0.57) AVPR1ASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3235137 0.94 AVPR1A (0.57) AVPR1ASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3239294 0.90 AVPR1A (0.56) AVPR1ASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3231628 0.89 AVPR1A (0.53) AVPR1ASMN1; SMN2KDM4EKMT2ATDP1
SCHEMBL3233606 0.88 AVPR1A (0.55) AVPR1ASMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL3232071 0.87 AVPR1A (0.51) AVPR1AALDH1A1TSHRKMT2ALMNA
SCHEMBL3233637 0.86 AVPR1A (0.55) AVPR1ASMN1; SMN2TSHRKDM4EKMT2A
SCHEMBL3235348 0.86 AVPR1A (0.51) AVPR1AALDH1A1KMT2ALMNATDP1
SCHEMBL3234052 0.86 AVPR1A (0.55) AVPR1ASMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL3238642 0.86 AVPR1A (0.57) AVPR1AALDH1A1KMT2A

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 3 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 claimed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 US claimed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 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 (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 AVPR1A 2/4885SMN1; SMN2 4831/4885ALDH1A1 3212/4885

“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.