SCHEMBL6226380

SCHEMBL6226380

O=C(NC1CCCCC1)c1ccc(Br)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.63
▸ RAB9A P51151 9/20 0.63
▸ KMT2A Q03164 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ HTR2B P41595 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MLLT1 Q03111 1/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.50
▸ TAS1R1 Q7RTX1 2/20 0.50
▸ TAS1R2 Q8TE23 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL2923680 0.84 NPC1 (0.65) NPC1RAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL24746236 0.82 NPC1 (0.63) NPC1RAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL9295949 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL29115445 0.81 NAMPT (0.52) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL29115572 0.81 NAMPT (0.52) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL29115443 0.81 NAMPT (0.52) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL2864006 0.80 TAS1R3 (0.57) NPC1RAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL13304158 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL23166045 0.80 MAPT (0.60) NPC1RAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL507568 0.79 RAB9A (0.62) NPC1RAB9AKMT2ASMN1; SMN2HPGD

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
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 — — US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 — — 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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 NPC1 3436/4885RAB9A 2001/4885KMT2A 1540/4885

“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.

Send feedback