SCHEMBL3900920

SCHEMBL3900920

Cc1cc(C)cc(C(=O)Cc2ccnc(OCc3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.43
ACACB O00763 1/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GABRA5 P31644 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GRM1 Q13255 1/20 0.39
MAOB P27338 2/20 0.39
ALKBH1 Q13686 1/20 0.39
EGFR P00533 2/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL3890841 0.77 GAA (0.44) GABRA5L3MBTL1NPC1RAB9APOLB
SCHEMBL5554530 0.76 RECQL (0.46) ACACBMEN1KMT2AGABRA5LMNA
Bromide SCHEMBL3891497 0.75 ACACB (0.40) TSPOACACBKDM5AKDM4CMEN1
Hydrochloric Acid SCHEMBL4018838 0.75 LOXL2 (0.46) ACACBMEN1KMT2AGABRA5LMNA
SCHEMBL3887646 0.75 GABRA5 (0.50) TSPOACACBGABRA5L3MBTL1MAOB
SCHEMBL4258878 0.74 GABRP (0.59) MEN1KMT2AGABRA5L3MBTL1NPC1
SCHEMBL4257762 0.74 RAB9A (0.58) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL837794 0.74 NR4A2 (0.58) KDM5AKDM4CMEN1KMT2AALKBH1
SCHEMBL10502225 0.73 FFAR1 (0.57)
SCHEMBL14524129 0.72 LMNA (0.56) MEN1KMT2AL3MBTL1GRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
EP-1180518-B1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-01-17 EP disclosed
US-7101899-B1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof OHKAWA SHIGENORI 2006-06-22 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1180518-A1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 TSPO 3813/4885ACACB 3170/4885KDM5A 3631/4885
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof ADORA3, MAPK4, MAPK3 TSPO 2702/4885ACACB 4470/4885KDM5A 1905/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 TSPO 1555/4885ACACB 3437/4885KDM5A 3007/4885
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 TSPO 2676/4885ACACB 4447/4885KDM5A 2074/4885

“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.