SCHEMBL5998963

SCHEMBL5998963

O=C(O)[C@H](CO)Nc1ccc(-n2cncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK10 P53779 1/20 0.43
SYK P43405 2/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ROCK1 Q13464 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL5998960 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EMAPK10SYK
SCHEMBL1165268 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EMAPK10SYK
SCHEMBL7366516 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHSP90AA1MAPT
SCHEMBL18435536 0.74 KDM4E (0.50) SMN1; SMN2ALDH1A1KDM4EMAPK10SYK
SCHEMBL31521530 0.74 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EHSP90AA1MAPT
SCHEMBL28406828 0.74 MDM2 (0.44) SMN1; SMN2ALDH1A1KDM4EHTTCYP1A2
SCHEMBL16462491 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EHSP90AA1MAPT
SCHEMBL18144294 0.72 CA2 (0.44) ALDH1A1MAPTBRD4
SCHEMBL1794244 0.72 CA2 (0.44) ALDH1A1MAPTBRD4
SCHEMBL3488827 0.71 MME (0.45) SMN1; SMN2ALDH1A1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041670-B2 Florfenicol-type antibiotics SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2006-05-09 US disclosed
US-20060014743-A1 Methods of preventing bacterial infections with florfenicol-type antibiotics SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2006-01-19 US disclosed
EP-1487785-A2 NOVEL FLORFENICOL-TYPE ANTIBIOTICS Schering-Plough Ltd. (CH) 2004-12-22 EP disclosed
US-20040082553-A1 Novel florfenicol-type antibiotics INTERVET INC. 2004-04-29 US disclosed
WO-2003077828-A2 NOVEL FLORFENICOL-TYPE ANTIBIOTICS SCHERING-PLOUGH, LTD. (US) 2003-09-25 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 (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-20040082553-A1 Novel florfenicol-type antibiotics Q6ZSR9, FOS, FABP2 SMN1; SMN2 3436/4885ALDH1A1 2683/4885KDM4E 2247/4885
US-20060014743-A1 Methods of preventing bacterial infections with florfenicol-type antibiotics FOS, FABP2, NISCH SMN1; SMN2 2895/4885ALDH1A1 2335/4885KDM4E 3527/4885

“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.