SCHEMBL17554121

SCHEMBL17554121

COc1cc(NC(=O)c2cccnc2)c(C(=O)NCCN2CCN(C)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
ABCB1 P08183 1/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AAK1 Q2M2I8 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL30560454 1.00 KDM4E (0.62) KDM4EALDH1A1MAPTABCG2ABCB1
SCHEMBL17554157 0.88 ALDH1A1 (0.52) KDM4EALDH1A1MAPTABCG2ABCB1
SCHEMBL30560579 0.86 SMN1; SMN2 (0.67) KDM4EALDH1A1MAPTPOLBTSHR
SCHEMBL17554081 0.86 SMN1; SMN2 (0.67) KDM4EALDH1A1MAPTPOLBTSHR
SCHEMBL17554051 0.84 TP53 (0.54) ALDH1A1POLBSMN1; SMN2HTR1A
SCHEMBL17554013 0.84 ALDH1A1 (0.62) KDM4EALDH1A1MAPTPOLB
SCHEMBL31387147 0.82 SMN1; SMN2 (0.63) ALDH1A1TSHRSMN1; SMN2HTR1A
SCHEMBL7167519 0.81 ABCG2 (0.66) ALDH1A1ABCG2ABCB1POLB
SCHEMBL19348492 0.80 BCL3 (0.61) KDM4EALDH1A1POLBSMN1; SMN2HTR1A
SCHEMBL17554173 0.79 SMN1; SMN2 (0.57) KDM4EALDH1A1MAPTSMN1; SMN2

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 KDM4E 1765/4885ALDH1A1 2635/4885MAPT 3865/4885
US-10273218-B2 BCL-3 inhibitors BCL3, BCL2, BCL2L13 KDM4E 2116/4885ALDH1A1 2830/4885MAPT 4021/4885
US-20170267653-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 KDM4E 2116/4885ALDH1A1 2830/4885MAPT 4021/4885

“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.