SCHEMBL3046244

SCHEMBL3046244

COc1cc2c(cc1S(N)(=O)=O)CCN(Cc1cccc([N+](=O)[O-])c1)C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.52
ABCC1 P33527 1/20 0.52
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.49
CA1 P00915 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.47
REV1 Q9UBZ9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL3042196 0.86 DHCR7 (0.58) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3060196 0.86 KDM4E (0.54) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3059191 0.86 KDM4E (0.54) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3050425 0.86 KDM4E (0.62) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3061675 0.86 REV1 (0.61) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3054744 0.85 KMT2A (0.57) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3059179 0.85 KDM4E (0.58) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3041835 0.85 KDM4E (0.53) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3042363 0.83 DRD2 (0.52) ABCB1ABCC1CA2CA9KDM4E
SCHEMBL3052643 0.83 KDM4E (0.53) ABCB1ABCC1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US claimed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
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 ABCB1 754/4885ABCC1 3119/4885CA2 1077/4885

“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.