SCHEMBL4590170

SCHEMBL4590170

COc1ccccc1C1(O)C(=O)Nc2cc3c(cc21)CCC3

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
RECQL P46063 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 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
SCHEMBL4589584 0.81 KMT2A (0.70) KMT2ASIGMAR1MEN1MAPTSMN1; SMN2
SCHEMBL31317617 0.80 KMT2A (1.00) KMT2ASIGMAR1MEN1IDO1KDM4E
SCHEMBL2496912 0.78 KMT2A (0.74) KMT2ASIGMAR1MEN1MAPTSMN1; SMN2
SCHEMBL4589559 0.78 KMT2A (0.65) KMT2ASIGMAR1MEN1MAPTPOLB
SCHEMBL4590137 0.78 KMT2A (0.65) KMT2ASIGMAR1MEN1MAPTPOLB
SCHEMBL2678998 0.77 KMT2A (0.72) KMT2ASIGMAR1MEN1MAPTSMN1; SMN2
SCHEMBL1464565 0.77 KMT2A (0.72) KMT2ASIGMAR1MEN1IDO1POLB
SCHEMBL2679629 0.74 KMT2A (0.67) KMT2ASIGMAR1MEN1MAPTKDM4E
SCHEMBL4588885 0.74 KMT2A (0.60) KMT2ASIGMAR1MEN1MAPTSMN1; SMN2
SCHEMBL11041928 0.73 KMT2A (0.71) KMT2ASIGMAR1MEN1POLB

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 5 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

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 KMT2A 4115/4885SIGMAR1 585/4885NPC1 1929/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A KMT2A 3798/4885SIGMAR1 541/4885NPC1 2399/4885

“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.