SCHEMBL18570253

SCHEMBL18570253

C=Nc1ccccc1C=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
RECQL P46063 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL18583904 0.84 L3MBTL1 (0.35) CA12CA2CA9RAB9AALDH1A1
SCHEMBL21276638 0.84 CA12 (0.33) CA12CA2CA9RAB9AALDH1A1
SCHEMBL14024554 0.84 L3MBTL1 (0.35) CA12CA2CA9RAB9AALDH1A1
SCHEMBL19718545 0.82 CA12 (0.32) CA12CA2CA9RAB9A
SCHEMBL22481904 0.81 CA12 (0.32) CA12CA2CA9RAB9A
SCHEMBL14427457 0.80 CA12 (0.31) CA12CA2CA9TRPA1
SCHEMBL11986402 0.79 CA12 (0.39) CA12CA2CA9RAB9AALDH1A1
SCHEMBL2340381 0.77 LMNA (0.38) RAB9AALDH1A1KDM4EMAPTTRPA1
SCHEMBL20216019 0.76 RECQL (0.41) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL20747503 0.75 MAPT (0.39) RAB9AALDH1A1L3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292178-A9 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-26 US disclosed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 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 (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-20190292178-A9 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL26, RPL35, RPL5 CA12 3585/4885CA2 4703/4885CA9 3819/4885

“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.