SCHEMBL5750828

SCHEMBL5750828

O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1F

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.81
NPC1 O15118 6/20 0.81
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 2/20 0.65
BCL3 P20749 3/20 0.59
MT-CO2 P00403 1/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 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
SCHEMBL30560609 1.00 RAB9A (0.81) RAB9ANPC1SMN1; SMN2ALDH1A1BCL3
SCHEMBL17554123 0.92 NPC1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1BCL3
SCHEMBL2352332 0.90 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL17554094 0.89 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1BCL3
SCHEMBL17554161 0.88 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1BCL3
SCHEMBL5750887 0.85 BACE1 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MT-CO2
SCHEMBL29849764 0.85 BCL3 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1BCL3
SCHEMBL16431496 0.85 BCL3 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1BCL3
SCHEMBL17554032 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17554153 0.84 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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 16 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
EP-1558260-A4 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2006-10-25 EP disclosed
US-20060052345-A1 Quinazolinone compounds as calcilytics NPS PHARMACEUTICALS, INC. (US) 2006-03-09 US disclosed
EP-1558260-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2005-08-03 EP disclosed
WO-2004041755-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-05-21 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 (4 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 RAB9A 922/4885NPC1 3070/4885SMN1; SMN2 4161/4885
US-10273218-B2 BCL-3 inhibitors BCL3, BCL2, BCL2L13 RAB9A 934/4885NPC1 3457/4885SMN1; SMN2 4241/4885
US-20060052345-A1 Quinazolinone compounds as calcilytics CALCR, CALCRL, CASR RAB9A 444/4885NPC1 2093/4885SMN1; SMN2 4811/4885
US-20170267653-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 RAB9A 934/4885NPC1 3457/4885SMN1; SMN2 4241/4885

“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.