SCHEMBL17554123

SCHEMBL17554123

O=C(Nc1ccccc1C(=O)NCCCc1ccccc1)c1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
BCL3 P20749 3/20 0.60
HPGD P15428 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NLRP1 Q9C000 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
POLB P06746 2/20 0.53
NLRP3 Q96P20 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL5750828 0.92 RAB9A (0.81) NPC1RAB9ABCL3ALDH1A1SMN1; SMN2
SCHEMBL30560609 0.92 RAB9A (0.81) NPC1RAB9ABCL3ALDH1A1SMN1; SMN2
SCHEMBL19348500 0.83 RAB9A (0.56) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL17554087 0.82 PPARG (0.76) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL16431496 0.82 BCL3 (0.62) NPC1RAB9ABCL3ALDH1A1SMN1; SMN2
SCHEMBL29849764 0.82 BCL3 (0.62) NPC1RAB9ABCL3ALDH1A1SMN1; SMN2
SCHEMBL2352332 0.82 RAB9A (1.00) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL17554094 0.81 RAB9A (0.71) NPC1RAB9ABCL3ALDH1A1HTT
SCHEMBL17554161 0.81 RAB9A (0.71) NPC1RAB9ABCL3ALDH1A1HTT
SCHEMBL21870352 0.80 NPC1 (0.54) NPC1RAB9AHPGDALDH1A1MAPT

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 13 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
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 NPC1 3070/4885RAB9A 922/4885BCL3 1/4885
US-10273218-B2 BCL-3 inhibitors BCL3, BCL2, BCL2L13 NPC1 3457/4885RAB9A 934/4885BCL3 1/4885
US-20170267653-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 NPC1 3457/4885RAB9A 934/4885BCL3 1/4885

“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.