SCHEMBL4133738

SCHEMBL4133738

COc1cc(NN)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
GRM4 Q14833 3/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAOB P27338 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SRC P12931 1/20 0.41
MAOA P21397 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
P2RY4 P51582 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
Hydrochloric Acid SCHEMBL3661738 0.98 NPC1 (0.47) NPC1GRM4HDAC6MAPTKDM4E
Bromide SCHEMBL20984091 0.98 NPC1 (0.47) NPC1GRM4HDAC6MAPTKDM4E
Oxalic Acid SCHEMBL28374158 0.90 MAPT (0.54) NPC1GRM4HDAC6MAPTKDM4E
Sulfuric Acid SCHEMBL20984581 0.90 GRM4 (0.48) NPC1GRM4HDAC6MAPTKDM4E
Phosphoric Acid SCHEMBL28378845 0.90 GRM4 (0.51) NPC1GRM4HDAC6MAPTKDM4E
Nitric Acid SCHEMBL28377488 0.87 GRM4 (0.46) NPC1GRM4HDAC6MAPTKDM4E
SCHEMBL5809000 0.84 MAPT (0.54) NPC1GRM4MAPTPOLBRAB9A
Bromide SCHEMBL20984140 0.82 MAPT (0.53) NPC1GRM4MAPTPOLBRAB9A
Hydrochloric Acid SCHEMBL4073968 0.82 NPC1 (0.55) NPC1GRM4MAPTPOLBRAB9A
SCHEMBL8310787 0.82 GRM4 (0.49) NPC1GRM4HDAC6MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-20210093613-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. 2021-04-01 US disclosed
US-9328116-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2016-05-03 US disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 US disclosed
WO-2014089495-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-12 WO disclosed
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 US disclosed
US-5939558-A HERBICIDES, DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
EP-0777654-A1 N-PHENYLTETRAHYDROINDAZOLES, THEIR PREPARATION, AND THEIR USE AS CROP PROTECTION AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996006830-A1 N-PHENYLTETRAHYDROINDAZOLES, THEIR PREPARATION, AND THEIR USE AS CROP PROTECTION AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-03-07 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 (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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 NPC1 1088/4885GRM4 3815/4885HDAC6 311/4885
US-20210093613-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 NPC1 1275/4885GRM4 585/4885HDAC6 1468/4885
US-20140171420-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 NPC1 1275/4885GRM4 585/4885HDAC6 1468/4885
US-11759454-B2 Diazole lactams CCR1, CCRL2, CCR4 NPC1 1275/4885GRM4 585/4885HDAC6 1468/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 NPC1 934/4885GRM4 3837/4885HDAC6 264/4885

“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.