SCHEMBL6283076

SCHEMBL6283076

CN(C)c1ccc(C(=O)Cc2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.54
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
CHRM5 P08912 1/20 0.48
CHKA P35790 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MCL1 Q07820 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MPO P05164 1/20 0.43
ALOX15 P16050 1/20 0.43

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
Bromide SCHEMBL6505588 0.98 NAMPT (0.53) NAMPTMAPTALDH1A1HPGDCHRM5
SCHEMBL1515783 0.83 KMT2A (0.63) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6203734 0.82 ALDH1A1 (0.55) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL13236073 0.81 NPC1 (0.65) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2512740 0.81 RAB9A (0.64) NAMPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL10516691 0.80 APP (0.55) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6283084 0.79 RAB9A (0.56) NAMPTMAPTALDH1A1HPGDKDM4E
SCHEMBL1515789 0.79 HPGD (0.59) MAPTALDH1A1HPGDGFERRAB9A
SCHEMBL6775249 0.79 NPC1 (0.62) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL10517061 0.78 NPC1 (0.60) MAPTGFERSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP 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 (2 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 NAMPT 1006/4885MAPT 2844/4885ALDH1A1 3345/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 NAMPT 1700/4885MAPT 2113/4885ALDH1A1 3292/4885

“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.