SCHEMBL15437016

SCHEMBL15437016

C/C(=N/[S+]([O-])C(C)(C)C)c1cnc2c(Cl)cccc2c1-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
NR1H2 P55055 8/20 0.34
NR1H3 Q13133 8/20 0.34
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
RXFP1 Q9HBX9 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
P2RX7 Q99572 1/20 0.32
GRM5 P41594 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10199606 1.00 ALDH1A1 (0.37) ALDH1A1POLBUSP2MAPK1HAVCR2
SCHEMBL15437018 1.00 ALDH1A1 (0.37) ALDH1A1POLBUSP2MAPK1HAVCR2
SCHEMBL2721188 0.86 RXFP1 (0.32) ALDH1A1MEN1KMT2ARXFP1NPSR1
SCHEMBL2717472 0.86 RXFP1 (0.32) ALDH1A1MEN1KMT2ARXFP1NPSR1
SCHEMBL2721186 0.86 RXFP1 (0.32) ALDH1A1MEN1KMT2ARXFP1NPSR1
SCHEMBL2720744 0.77 HAVCR2 (0.50) ALDH1A1POLBUSP2MAPK1HAVCR2
SCHEMBL4104549 0.71 PIK3CD (0.39) POLBNR1H2NR1H3MEN1KMT2A
SCHEMBL34469097 0.70 POLB (0.46) ALDH1A1POLBLMNACYP2C19SMN1; SMN2
SCHEMBL31409963 0.69 PLAU (0.38) ALDH1A1POLB
SCHEMBL23526516 0.69 LMNA (0.33) ALDH1A1POLBUSP2MEN1KMT2A

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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 ALDH1A1 3702/4885POLB 3908/4885USP2 2894/4885

“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.