SCHEMBL723522

SCHEMBL723522

CCCCCc1n[nH]c(=O)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.73
TSHR P16473 1/20 0.48
GPR84 Q9NQS5 6/20 0.46
TYMP P19971 3/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1723958 0.94 GLA (0.76) GLATSHRGPR84TYMPALDH1A1
SCHEMBL28213046 0.78 ALDH1A1 (0.52) GLAGPR84MAPTALDH1A1PKM
SCHEMBL4049125 0.77 GLA (0.57) GLATSHR
SCHEMBL6685725 0.76 GPR84 (0.51) GLAGPR84TYMPALDH1A1PKM
SCHEMBL251649 0.76 TYMP (0.47) GLATSHRGPR84TYMPALDH1A1
SCHEMBL10396476 0.72 GLA (0.47) GLAMAPTALDH1A1PKMHPGD
SCHEMBL5712557 0.72 ALDH1A1 (0.48) GPR84ALDH1A1PKMHPGD
SCHEMBL16852654 0.71 GLA (0.61) GLATSHRMAPTALDH1A1
SCHEMBL9414255 0.69 PARP1 (0.46) GLAGPR84TYMPALDH1A1
SCHEMBL15115442 0.68 EPHX2 (0.60) GPR84

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 15 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
US-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-16 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 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
WO-2007133820-A2 DIARYL TRIAZOLONES AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-11-22 WO disclosed
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US disclosed
EP-0273310-B1 5-Aryl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants MERRELL DOW PHARMA (US) 1995-06-21 EP disclosed
EP-0273309-B1 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMA (US) 1995-01-11 EP disclosed
US-4919708-A Haloalkyl triazolinones and herbicidal use thereof FMC CORPORATION (US) 1990-04-24 US disclosed
US-4846875-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-07-11 US disclosed
EP-0273310-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants MERRELL PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0273309-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0221083-A1 HALOALKYL TRIAZOLINONES FMC Corporation (US) 1987-05-13 EP disclosed
WO-1986004481-A2 HALOALKYL TRIAZOLINONES FMC CORPORATION (US) 1986-08-14 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 (4 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 GLA 3799/4885TSHR 43/4885GPR84 339/4885
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A GLA 3298/4885TSHR 78/4885GPR84 651/4885
US-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof AADAC, NAT1, TNNI3 GLA 785/4885TSHR 2383/4885GPR84 3596/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B GLA 3799/4885TSHR 43/4885GPR84 339/4885

“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.