SCHEMBL4708591

SCHEMBL4708591

O=C(O)c1ccn(-c2ccc(C(=O)O)c(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.51
NR4A1 P22736 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ABL1 P00519 1/20 0.42
RPA1 P27694 7/20 0.41
AVPR2 P30518 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 1/20 0.38
CTSB P07858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 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
SCHEMBL3811575 0.84 MYC (0.57) MYCNR4A1SMN1; SMN2TSHRCASP1
SCHEMBL31587364 0.84 KMT2A (0.46) SMN1; SMN2ABL1RPA1ALDH1A1POLB
SCHEMBL14130008 0.83 MYC (0.48) MYCNR4A1AVPR2ALDH1A1NOTUM
SCHEMBL15754746 0.81 KMO (0.45) SMN1; SMN2ABL1RPA1
SCHEMBL29229666 0.80 AR (0.53) ABL1RPA1
SCHEMBL30506384 0.80 AR (0.53) ABL1RPA1
SCHEMBL15754423 0.79 RPA1 (0.50) SMN1; SMN2TSHRRPA1ALDH1A1L3MBTL1
SCHEMBL31587999 0.78 POLB (0.58) ALDH1A1L3MBTL1NOTUMTDP1POLB
SCHEMBL5064593 0.76 AVPR2 (0.55) MYCNR4A1SMN1; SMN2TSHRCASP1
SCHEMBL14812729 0.75 KMT2A (0.44) TSHRSIGMAR1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572694-B1 PYRROLO[2,1-C][1,4] BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH CORP (US) 2008-10-08 EP disclosed
US-7138393-B2 Biologically active vasopressin agonist metabolites WYETH (US) 2006-11-21 US disclosed
CN-1745083-A Pyrrolo [2, 1-c ] [1,4] benzodiazepines as vasopressin agonists WYETH CORP (US) 2006-03-08 CN disclosed
EP-1572694-A1 PYRROLO'2,1-C!'1,4! BENZODIAZEPINES AS VASOPRESSIN AGONISTS Wyeth (US) 2005-09-14 EP disclosed
WO-2004060894-A1 PYRROLO`2,1-C!`1,4! BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH (US) 2004-07-22 WO disclosed
WO-2004060894-A1 PYRROLO`2,1-C!`1,4! BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH (US) 2004-07-22 WO disclosed
US-20030134845-A1 Biologically active vasopressin agonist metabolites WYETH (US) 2003-07-17 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-20030134845-A1 Biologically active vasopressin agonist metabolites AVPR2, AVPR1A, AVPR1B MYC 4793/4885NR4A1 1262/4885SMN1; SMN2 1895/4885

“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.