SCHEMBL12921149

SCHEMBL12921149

Cc1ccc2c(C3CCCC3)c(Br)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ BCL2L1 Q07817 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12596857 0.78 DRD2 (0.35) PTGDR2
SCHEMBL12894497 0.78 — —
SCHEMBL12596860 0.77 — —
SCHEMBL4738761 0.72 MCL1 (0.42) NPC1RAB9ABCL2L1MCL1GAA
SCHEMBL5541613 0.71 ESR1 (0.41) GAA
SCHEMBL2427246 0.69 HDAC1 (0.45) NPC1RAB9AMCL1GAAHPGD
SCHEMBL25798444 0.69 RAB9A (0.39) NPC1RAB9AGAAPOLBHPGD
SCHEMBL5547504 0.69 CES2 (0.45) NPC1RAB9AGAAHPGDKMT2A
SCHEMBL13006921 0.68 CNR1 (0.33) NPC1RAB9AATMKDM4E
SCHEMBL803700 0.68 NPC1 (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 NPC1 2233/4885RAB9A 3802/4885BCL2L1 4106/4885

“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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