SCHEMBL460791

SCHEMBL460791

O=C1CC2C=CC=CC2N1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL3569222 0.78
Water SCHEMBL10621554 0.77 GAA (0.31)
Hydrochloric Acid SCHEMBL10660266 0.75 GAA (0.30)
SCHEMBL10555075 0.74
SCHEMBL18457871 0.71 BRD4 (0.30)
SCHEMBL12496506 0.70 TNKS2 (0.38)
SCHEMBL11983596 0.70
SCHEMBL12844975 0.70
SCHEMBL12845184 0.70
SCHEMBL1032285 0.70 TDO2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed
US-9782387-B2 Compositions and methods for treating hematological malignancies TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) 2017-10-10 US disclosed
EP-3087068-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES Tel HaShomer Medical Research Infrastructure and Services Ltd. (IL) 2016-11-02 EP disclosed
US-20160303080-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) 2016-10-20 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
WO-2015097691-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) 2015-07-02 WO disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO disclosed
EP-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 EP disclosed
EP-0023592-B1 PROCESS FOR PREPARING 4-HYDROXYCARBAZOLE Roche Diagnostics GmbH (DE) 1983-03-30 EP disclosed
US-4273711-A Process for the preparation of 4-hydroxycarbazole BOEHRINGER MANNHEIM GMBH (DE) 1981-06-16 US disclosed
EP-0023592-A1 Process for preparing 4-hydroxycarbazole Roche Diagnostics GmbH (DE) 1981-02-11 EP 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 ITGB3 2195/4885ITGB2 3558/4885ITGB1 2739/4885
US-20160303080-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES MCL1, BCL9, THPO ITGB3 2201/4885ITGB2 1512/4885ITGB1 1503/4885

“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.