SCHEMBL4904307

SCHEMBL4904307

CCCCNC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ KDR P35968 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ BTK Q06187 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ XDH P47989 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL3298679 0.95 EPHX1 (0.52) EPHX1HTTEPHX2BTKHDAC1
SCHEMBL13632472 0.86 ABL1 (0.40) SMN1; SMN2SIGMAR1KDRNPC1RAB9A
SCHEMBL2623138 0.80 XDH (0.62) SMN1; SMN2NPC1RAB9APOLBL3MBTL1
SCHEMBL5193809 0.79 XDH (0.61) SMN1; SMN2NPC1RAB9APOLBL3MBTL1
SCHEMBL7052321 0.79 XDH (0.61) SMN1; SMN2NPC1RAB9APOLBL3MBTL1
SCHEMBL796516 0.79 HTT (0.49) HTTSMN1; SMN2NPC1RAB9AXDH
SCHEMBL1369867 0.78 XDH (0.44) HTTSMN1; SMN2KDRXDHHDAC1
SCHEMBL17778780 0.77 XDH (0.42) HTTSMN1; SMN2KDRNPC1RAB9A
SCHEMBL4905900 0.77 ATG4B (0.39) HTTSMN1; SMN2NPC1RAB9ABTK
Hydrochloric Acid SCHEMBL1371882 0.77 XDH (0.43) HTTSMN1; SMN2KDRXDHHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 — — US claimed
EP-1812455-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-08-01 — — EP claimed
WO-2006035301-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 — — WO claimed
US-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 — — US disclosed
EP-1812455-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-08-01 — — EP disclosed
WO-2007056213-A2 DRUG-ELUTING STENTS COATED WITH P2Y12 RECEPTOR ANTAGONIST COMPOUND INSPIRE PHARMACEUTICALS, INC. (US) 2007-05-18 — — WO disclosed
WO-2006035301-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 — — 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-20080318878-A1 Antibacterial Agents MLX, MGAM, CAT EPHX1 3297/4885HTT 1652/4885SMN1; SMN2 2556/4885

“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.

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