SCHEMBL14839426

SCHEMBL14839426

Cn1nnc(Nc2ccc(Br)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 4/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNH2 Q12809 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FDPS P14324 1/20 0.36
NPC1 O15118 2/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL14839431 0.74 ALDH1A1 (0.41) ALDH1A1TSHRLMNACYP1A2CYP2C19
SCHEMBL355054 0.73 ALDH1A1 (0.50) ALDH1A1MAPTTSHRLMNAKMT2A
SCHEMBL14839413 0.72 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP2C19RAB9A
SCHEMBL14839422 0.71 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP2C19RAB9A
SCHEMBL15910932 0.70 ALDH1A1 (0.40) ALDH1A1MAPTTSHRLMNACYP1A2
SCHEMBL29407430 0.69 MAOA (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1557876 0.69 MAOA (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5733672 0.68 FDPS (0.46) ALDH1A1MAPTTSHRLMNAKMT2A
SCHEMBL29501850 0.66 RAB9A (0.47) ALDH1A1MAPTTSHRKMT2ARAB9A
SCHEMBL28403065 0.66 RAB9A (0.47) ALDH1A1MAPTTSHRKMT2ARAB9A

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-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
CN-103030635-A Biaryl heterocycle-substituted oxazolidinone antibacterial drug KBP BIOSCIENCES CO LTD 2013-04-10 CN 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 721/4885MAPT 4672/4885USP2 4499/4885

“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.