SCHEMBL14839413

SCHEMBL14839413

Cn1nnnc1Nc1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
KCNH2 Q12809 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FDPS P14324 1/20 0.36
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL15910932 0.73 ALDH1A1 (0.40) ALDH1A1LMNAKCNH2RXFP1FDPS
SCHEMBL355054 0.73 ALDH1A1 (0.50) ALDH1A1LMNARXFP1FDPSRAB9A
SCHEMBL14839426 0.72 ALDH1A1 (0.40) ALDH1A1LMNAKCNH2RXFP1FDPS
SCHEMBL19463070 0.70 HIF1A (0.38) ALDH1A1LMNARXFP1GAAKCNJ5
SCHEMBL29379720 0.70 HIF1A (0.38) ALDH1A1LMNARXFP1GAAKCNJ5
SCHEMBL30094777 0.69 KMO (0.41) ALDH1A1RXFP1
SCHEMBL1557065 0.69 KMO (0.41) ALDH1A1RXFP1
SCHEMBL14839422 0.68 ALDH1A1 (0.41) ALDH1A1LMNAKCNH2RXFP1FDPS
SCHEMBL14839431 0.68 ALDH1A1 (0.41) ALDH1A1LMNAKCNH2RXFP1FDPS
SCHEMBL29501850 0.66 RAB9A (0.47) ALDH1A1RXFP1FDPSRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359344-B2 Biaryl heterocycle substituted oxazolidinone antibacterial agents Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-9359344-B2 Biaryl heterocycle substituted oxazolidinone antibacterial agents Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-9359344-B2 Biaryl heterocycle substituted oxazolidinone antibacterial agents Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-20140235584-A1 BIARYL HETEROCYCLE SUBSTITUTED OXAZOLIDINONE ANTIBACTERIAL AGENTS Xuanzhu Pharma Co., Ltd. (CN) 2014-08-21 US disclosed
US-20140235584-A1 BIARYL HETEROCYCLE SUBSTITUTED OXAZOLIDINONE ANTIBACTERIAL AGENTS Xuanzhu Pharma Co., Ltd. (CN) 2014-08-21 US disclosed
US-20140235584-A1 BIARYL HETEROCYCLE SUBSTITUTED OXAZOLIDINONE ANTIBACTERIAL AGENTS Xuanzhu Pharma Co., Ltd. (CN) 2014-08-21 US disclosed
EP-2762479-A1 BIARYL HETEROCYCLE SUBSTITUTED OXAZOLIDINON ANTIBACTERIAL DRUG Xuanzhu Pharma Co., Ltd. (CN) 2014-08-06 EP disclosed
WO-2013044845-A1 BIARYL HETEROCYCLE SUBSTITUTED OXAZOLIDINON ANTIBACTERIAL DRUG 山东轩竹医药科技有限公司 (CN) 2013-04-04 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 (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-20140235584-A1 BIARYL HETEROCYCLE SUBSTITUTED OXAZOLIDINONE ANTIBACTERIAL AGENTS OXA1L, CYP2C19, CBR3 ALDH1A1 721/4885LMNA 3145/4885KCNH2 2178/4885

“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.