SCHEMBL1505656

SCHEMBL1505656

NNC(=O)c1cc(Br)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
P2RX7 Q99572 4/20 0.49
GRM5 P41594 1/20 0.47
LMNA P02545 1/20 0.46
OGG1 O15527 1/20 0.46
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL29679606 1.00 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2P2RX7GRM5
SCHEMBL13188319 0.85 KDM4E (0.66) ALDH1A1KDM4ESMN1; SMN2GRM5MEN1
SCHEMBL3503418 0.82 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2GRM5CYP1A2
SCHEMBL14809955 0.81 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2GRM5
SCHEMBL15228259 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4ESMN1; SMN2GRM5LOXL2
SCHEMBL3945417 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2GRM5LMNA
Hydrochloric Acid SCHEMBL10707947 0.80 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2GRM5CYP1A2
SCHEMBL231811 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2P2RX7GRM5
SCHEMBL7171815 0.79 KDM4E (0.57) ALDH1A1KDM4EP2RX7LMNAOGG1
SCHEMBL31345733 0.79 P2RX7 (0.50) ALDH1A1KDM4EP2RX7MPOCYP1A2

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-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors AMGEN INC. (US) 2024-06-25 US disclosed
US-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-05-04 US disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed
EP-3519397-B1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-05-19 EP disclosed
EP-3519397-B1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-05-19 EP disclosed
US-10927110-B2 Cyano-subtituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-02-23 US disclosed
EP-3519397-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 Mission Therapeutics Limited (GB) 2019-08-07 EP disclosed
US-20190218215-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2019-07-18 US disclosed
WO-2018060691-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed
WO-2018060691-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (5 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-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CCR6, CCR1, CCR4 ALDH1A1 700/4885KDM4E 3436/4885SMN1; SMN2 482/4885
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors CCR6, CCR1, CCR4 ALDH1A1 700/4885KDM4E 3436/4885SMN1; SMN2 482/4885
US-20190218215-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 ALDH1A1 755/4885KDM4E 1237/4885SMN1; SMN2 2542/4885
US-10927110-B2 Cyano-subtituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 ALDH1A1 755/4885KDM4E 1237/4885SMN1; SMN2 2542/4885
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 ALDH1A1 1208/4885KDM4E 2925/4885SMN1; SMN2 2886/4885

“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.