SCHEMBL3046469

SCHEMBL3046469

COc1cc2c(cc1OCc1ccccc1)CCN(Cc1cccc([N+](=O)[O-])c1)C2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.65
CHRNA7 P36544 2/20 0.59
ABCB1 P08183 10/20 0.56
ABCC1 P33527 3/20 0.53
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
KMT2A Q03164 1/20 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
SCHEMBL3050371 0.86 REV1 (0.84) REV1CHRNA7ABCB1ABCC1KDM4E
SCHEMBL3050425 0.85 KDM4E (0.62) ABCB1ABCC1MAPK1KDM4ETDP1
SCHEMBL3056974 0.85 REV1 (0.71) REV1CHRNA7ABCB1ABCC1MAPK1
SCHEMBL3046416 0.85 REV1 (0.71) REV1CHRNA7ABCB1ABCC1KDM4E
SCHEMBL3059849 0.85 REV1 (0.74) REV1CHRNA7ABCB1ABCC1KDM4E
SCHEMBL19431752 0.85 ABCB1 (0.68) REV1CHRNA7ABCB1
SCHEMBL17653797 0.85 ABCB1 (0.68) REV1CHRNA7ABCB1
SCHEMBL3059243 0.84 REV1 (0.78) REV1CHRNA7ABCB1ABCC1MAPK1
SCHEMBL3051227 0.84 REV1 (0.70) REV1CHRNA7ABCB1ABCC1MAPK1
SCHEMBL3049335 0.84 REV1 (0.70) REV1CHRNA7ABCB1ABCC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO 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-20100222299-A1 COMPOUND MKI67, VHL, MYC REV1 1520/4885CHRNA7 4760/4885ABCB1 754/4885

“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.