SCHEMBL17554159

SCHEMBL17554159

O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc2ccccc2c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.78
CYP2D6 P10635 2/20 0.78
CYP2C19 P33261 2/20 0.78
BCL3 P20749 6/20 0.73
ALDH1A1 P00352 3/20 0.73
GAA P10253 1/20 0.73
POLB P06746 1/20 0.67
HTT P42858 1/20 0.64
NR1H4 Q96RI1 4/20 0.61
PPARG P37231 2/20 0.61
HTR1A P08908 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL17554043 0.94 POLB (0.77) CYP1A2CYP2D6CYP2C19BCL3ALDH1A1
SCHEMBL16430973 0.87 POLB (0.87) BCL3ALDH1A1GAAPOLBHTT
SCHEMBL29849958 0.87 POLB (0.87) BCL3ALDH1A1GAAPOLBHTT
SCHEMBL17554174 0.85 BCL3 (0.76) CYP1A2CYP2D6CYP2C19BCL3ALDH1A1
SCHEMBL29849939 0.85 BCL3 (0.82) BCL3ALDH1A1GAAPOLBHTT
SCHEMBL17554020 0.85 BCL3 (0.76) CYP1A2CYP2D6CYP2C19BCL3ALDH1A1
SCHEMBL16430957 0.85 BCL3 (0.82) BCL3ALDH1A1GAAPOLBHTT
SCHEMBL23412997 0.84 BCL3 (0.71) CYP2C19BCL3ALDH1A1GAAPOLB
SCHEMBL16431055 0.84 BCL3 (0.85) CYP1A2CYP2D6CYP2C19BCL3ALDH1A1
SCHEMBL17554135 0.84 BCL3 (0.71) CYP1A2CYP2D6CYP2C19BCL3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed
EP-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed
US-20190248756-A1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2019-08-15 US disclosed
US-20190248756-A1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2019-08-15 US disclosed
US-10273218-B2 BCL-3 inhibitors UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2019-04-30 US disclosed
US-10273218-B2 BCL-3 inhibitors UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2019-04-30 US disclosed
US-20170267653-A1 BCL-3 INHIBITORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-09-21 US disclosed
US-20170267653-A1 BCL-3 INHIBITORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-09-21 US disclosed
EP-3174602-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2017-06-07 EP disclosed
WO-2016016728-A2 BCL-3 INHIBITORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-02-04 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 (3 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-20190248756-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 CYP1A2 1917/4885CYP2D6 773/4885CYP2C19 1286/4885
US-10273218-B2 BCL-3 inhibitors BCL3, BCL2, BCL2L13 CYP1A2 1670/4885CYP2D6 669/4885CYP2C19 1536/4885
US-20170267653-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 CYP1A2 1670/4885CYP2D6 669/4885CYP2C19 1536/4885

“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.