SCHEMBL14029295

SCHEMBL14029295

c1cncc(C2CCCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 1.00
CHRNB2 P17787 6/20 0.58
CHRNA4 P43681 6/20 0.58
CHRNA7 P36544 5/20 0.58
CYP2A6 P11509 3/20 0.58
MEN1 O00255 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
LMNA P02545 2/20 0.51
NAMPT P43490 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50

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
SCHEMBL133904 1.00 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL23873927 1.00 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL6095783 0.98 CYP11B2 (0.96) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL30434052 0.94 CYP11B2 (0.88) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL26154135 0.94 CYP11B2 (0.88) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL29848157 0.89
SCHEMBL990213 0.89
Cyanide SCHEMBL28217286 0.88 CYP11B2 (0.79) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
Formic Acid SCHEMBL28324256 0.87 CYP11B2 (0.77) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
Ammonia Solution, Strong SCHEMBL28985148 0.87 CYP11B2 (0.77) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6

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-20080275253-A1 halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-06 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-20080275253-A1 halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane HDHD5, ZRANB2, CLIC4 CYP11B2 4085/4885CHRNB2 2265/4885CHRNA4 1282/4885

“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.