SCHEMBL17554136

SCHEMBL17554136

COc1ccc(C(=O)Nc2cccc(F)c2C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 4/20 0.63
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
F10 P00742 1/20 0.54
TAAR1 Q96RJ0 3/20 0.54
SENP7 Q9BQF6 2/20 0.53
CASP3 P42574 1/20 0.53
PLK1 P53350 1/20 0.53
PLK3 Q9H4B4 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL17554044 0.83 SMN1; SMN2 (0.69) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL7705937 0.81 ALDH1A1 (0.76) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL17554161 0.81 RAB9A (0.71) SMN1; SMN2NPC1RAB9AALDH1A1TAAR1
SCHEMBL17554111 0.81 ALDH1A1 (0.60) MAPTALDH1A1KDM4EF10HDAC2
SCHEMBL17554171 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL17554077 0.79 SMN1; SMN2 (0.70) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL17554012 0.79 BCL3 (0.60) MAPTALDH1A1KDM4EF10GAA
SCHEMBL17554082 0.79 BCL3 (0.74) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL30560465 0.77 ABCG2 (0.63) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL17554117 0.77 ABCG2 (0.63) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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 SMN1; SMN2 4161/4885MAPT 3865/4885NPC1 3070/4885
US-10273218-B2 BCL-3 inhibitors BCL3, BCL2, BCL2L13 SMN1; SMN2 4241/4885MAPT 4021/4885NPC1 3457/4885
US-20170267653-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 SMN1; SMN2 4241/4885MAPT 4021/4885NPC1 3457/4885

“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.