SCHEMBL4168644

SCHEMBL4168644

COC(=O)Cc1ncc(Br)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HMGCR P04035 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ENPP1 P22413 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4166504 0.83 HSP90AB1 (0.46) DPP4ALDH1A1MAPTNPC1RAB9A
SCHEMBL22557745 0.81 DPP4 (0.44) DPP4ALDH1A1GAAHSP90AB1HMGCR
SCHEMBL23273501 0.81 HSP90AB1 (0.38) ALDH1A1MAPTNPC1RAB9AHSP90AB1
SCHEMBL18335081 0.81 LMNA (0.41) ALDH1A1MAPTCYP1A2CYP2C19NPC1
SCHEMBL29737883 0.81 HSP90AB1 (0.38) ALDH1A1MAPTNPC1RAB9AHSP90AB1
Hydrochloric Acid SCHEMBL31147900 0.80 HSP90AB1 (0.37) ALDH1A1MAPTNPC1RAB9AHSP90AB1
SCHEMBL1578005 0.80 DPP4 (0.44) DPP4ALDH1A1MAPTNPC1RAB9A
SCHEMBL28950531 0.78 HPGDS (0.43) DPP4ALDH1A1MAPTNPC1RAB9A
SCHEMBL30411409 0.78 HPGDS (0.43) DPP4ALDH1A1MAPTNPC1RAB9A
SCHEMBL2067188 0.77 NPC1 (0.37) DPP4ALDH1A1MAPTCYP1A2CYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101437810-A Quinazoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101432276-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-13 CN disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS DPP4 4326/4885ALDH1A1 832/4885MAPT 2809/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 DPP4 67/4885ALDH1A1 2537/4885MAPT 3578/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 DPP4 67/4885ALDH1A1 2537/4885MAPT 3578/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 DPP4 3528/4885ALDH1A1 1940/4885MAPT 3387/4885

“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.