SCHEMBL6498922

SCHEMBL6498922

COc1ccc(C(=O)C(Br)c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
RAB9A P51151 2/20 0.52
CYP1A2 P05177 2/20 0.50
POLB P06746 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46

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 SCHEMBL6282381 0.99 KMT2A (0.53) KMT2ARAB9ACYP1A2POLBCYP1A1
SCHEMBL7144956 0.85 ALDH1A1 (0.55) KMT2ARAB9ACYP1A2CYP1A1CYP1B1
SCHEMBL2526689 0.84 KMT2A (0.56) KMT2ARAB9ACYP1A2POLBCYP1A1
SCHEMBL6700604 0.84 MAPT (0.41) KMT2ARAB9APOLBALDH1A1NPC1
Bromide SCHEMBL6285575 0.84 ALDH1A1 (0.54) KMT2ARAB9ACYP1A2CYP1A1CYP1B1
SCHEMBL7142799 0.84 NAMPT (0.49) KMT2ARAB9AGAAALDH1A1NPC1
Bromide SCHEMBL6276160 0.83 NAMPT (0.48) KMT2ARAB9AGAAALDH1A1NPC1
SCHEMBL7143763 0.83 ALDH1A1 (0.56) KMT2ACYP1A2CYP1A1CYP1B1GAA
SCHEMBL7140563 0.82 CYP1A2 (0.54) KMT2ARAB9ACYP1A2POLBCYP1A1
SCHEMBL7149156 0.82 CYP17A1 (0.49) KMT2ARAB9AGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US 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-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 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 (1 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 KMT2A 4107/4885RAB9A 958/4885CYP1A2 3863/4885

“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.