SCHEMBL6228564

SCHEMBL6228564

N#Cc1cc(Br)c2c(c1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ XDH P47989 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33

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
SCHEMBL4263061 0.96 MEN1 (0.45) MEN1TTRALBKMT2AXDH
SCHEMBL11814822 0.81 — —
SCHEMBL6002728 0.81 XDH (0.42) MEN1TTRALBKMT2AXDH
SCHEMBL19679244 0.77 XDH (0.49) MEN1TTRALBKMT2AXDH
SCHEMBL26484276 0.77 XDH (0.40) XDHSLC22A12ALDH1A1MAPTHPGD
SCHEMBL11814510 0.73 XDH (0.33) MEN1KMT2AXDHSLC22A12MAPT
SCHEMBL24373453 0.72 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL29479151 0.72 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4262554 0.72 XDH (0.58) XDHSLC22A12ALDH1A1HPGDCYP11B2
SCHEMBL24524553 0.71 KDM4E (0.40) ALDH1A1MAPTHPGDAPOBEC3GCYP11B2

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-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof ASTRAZENECA AB (SE) 2005-08-18 — — US disclosed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 — — EP disclosed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 — — 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-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof CYP8B1, CYP51A1, NISCH MEN1 1011/4885TTR 1691/4885ALB 2657/4885

“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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