SCHEMBL1241295

SCHEMBL1241295

C=C(CNC(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FPR3 P25089 6/20 0.41
FPR2 P25090 6/20 0.41
AAK1 Q2M2I8 2/20 0.40
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
AURKB Q96GD4 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL14822610 0.87 MIF (0.44) CTSSCTSKNAMPT
SCHEMBL204168 0.85 ALDH1A1 (0.50) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5158225 0.85 MAOA (0.46) CTSSCTSK
SCHEMBL16265415 0.77 EGFR (0.55) ALDH1A1MAPTFPR3FPR2EGFR
SCHEMBL1295442 0.77 CTSS (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSS
SCHEMBL10758061 0.76 NQO2 (0.50) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL15145784 0.75 MEN1 (0.51) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL20649129 0.75 NPC1 (0.58) NPC1RAB9AALDH1A1FPR3FPR2
SCHEMBL81094 0.75 FPR3 (0.58) NPC1RECQLRAB9ASMN1; SMN2MAPT
SCHEMBL13528673 0.75 ALDH1A1 (0.51) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 NPC1 106/4885RECQL 3494/4885RAB9A 828/4885

“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.