SCHEMBL9726237

SCHEMBL9726237

BrCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
HTR1A P08908 1/20 0.57
KCNA3 P22001 1/20 0.53

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
Bromide SCHEMBL9869119 0.98 SIGMAR1 (0.59) SIGMAR1HTR1AKCNA3
SCHEMBL5541146 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL14601668 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL9726233 0.84 SIGMAR1 (0.61) SIGMAR1HTR1AKCNA3
SCHEMBL9867159 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL6162058 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
Hydrochloric Acid SCHEMBL9868303 0.83 SIGMAR1 (0.59) SIGMAR1HTR1AKCNA3
SCHEMBL256663 0.83 SIGMAR1 (0.63) SIGMAR1HTR1AKCNA3
SCHEMBL7297566 0.83 SIGMAR1 (0.63) SIGMAR1HTR1AKCNA3
SCHEMBL5544346 0.83 SIGMAR1 (0.63) SIGMAR1HTR1AKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors BIPAR SCIENCES, INC. 2009-06-11 US disclosed
US-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors BIPAR SCIENCES, INC. 2009-06-11 US disclosed
WO-2009051815-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER USING BENZOPYRONE-TYPE PARP INHIBITORS BIPAR SCIENCES, INC. (US) 2009-04-23 WO disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
WO-2008030887-A2 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
US-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed
US-4999355-A Antiserotonine agents RHONE-POULENC (FR) 1991-03-12 US disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 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-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors PARP1, PARP2, PARP3 SIGMAR1 4587/4885HTR1A 2229/4885KCNA3 4214/4885
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 SIGMAR1 4571/4885HTR1A 1869/4885KCNA3 4627/4885

“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.