SCHEMBL12002102

SCHEMBL12002102

BNC1CCN(CCn2c(=O)cc(C)c3ccc(OC)cc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.62
KCNQ1 P51787 1/20 0.41
CACNA1C Q13936 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL11968772 0.88 KCNH2 (0.61) KCNH2POLBCNR1CNR2
SCHEMBL4782432 0.86 KCNH2 (0.58) KCNH2TSHRPOLBHPGDCNR1
SCHEMBL12002183 0.84 KCNH2 (0.53) KCNH2TSHRPOLBHPGDCNR1
SCHEMBL2799380 0.84 KCNH2 (0.53) KCNH2TSHRPOLBHPGDCNR1
SCHEMBL11968773 0.82 KCNH2 (0.56) KCNH2TSHRPOLBHPGDCNR1
SCHEMBL12002336 0.82 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL12002251 0.81 KCNH2 (0.63) KCNH2KCNQ1CACNA1CTP53
SCHEMBL2799419 0.81 KCNH2 (0.58) KCNH2
SCHEMBL12002105 0.81 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
SCHEMBL12002332 0.80 KCNH2 (0.57) KCNH2KCNQ1CACNA1CTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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 (1 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885KCNQ1 240/4885CACNA1C 1832/4885

“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.