SCHEMBL8227985

SCHEMBL8227985

O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NC1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GPR139 Q6DWJ6 1/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
DHODH Q02127 1/20 0.51
MEN1 O00255 2/20 0.50
TAOK3 Q9H2K8 1/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
P2RX7 Q99572 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL8232485 0.94 MAPT (0.51) KMT2AALDH1A1SMN1; SMN2GPR139TSHR
SCHEMBL8228909 0.84 CHRNA7 (0.54) KMT2AALDH1A1GPR139TSHRMEN1
SCHEMBL8234710 0.80 SMN1; SMN2 (0.53) KMT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL2434361 0.78 AVPR2 (0.42) KMT2AALDH1A1GPR139TSHRMEN1
SCHEMBL8233185 0.77 CNR1 (0.48) SMN1; SMN2GPR139TSHRHPGDLMNA
SCHEMBL417179 0.77 AVPR2 (0.46) KMT2AALDH1A1TSHRHPGDLMNA
SCHEMBL8233424 0.76 HPGD (0.49) KMT2ASMN1; SMN2GPR139HPGDMEN1
SCHEMBL8227821 0.76 LMNA (0.51) KMT2AALDH1A1SMN1; SMN2GPR139TSHR
SCHEMBL8228890 0.76 GPR139 (0.48) GPR139
SCHEMBL8235322 0.75 AVPR2 (0.43) GPR139MAPTP2RX7

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
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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 (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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B KMT2A 4657/4885ALDH1A1 2276/4885SMN1; SMN2 4777/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B KMT2A 4657/4885ALDH1A1 2276/4885SMN1; SMN2 4777/4885

“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.