SCHEMBL18235892

SCHEMBL18235892

CCNCc1cc(F)c(CN)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ GAA P10253 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
SCHEMBL18235895 0.85 MAOA (0.36) BACE1BACE2CA2SLC6A4SLC6A3
SCHEMBL19102996 0.82 SMN1; SMN2 (0.41) BACE1BACE2SLC6A4
SCHEMBL18232492 0.79 DPP4 (0.37) BACE1BACE2CA2DPP4
SCHEMBL18235903 0.78 LMNA (0.38) BACE1BACE2LOXL2
SCHEMBL13527770 0.78 LOXL2 (0.42) DPP4KDM4EMAPTTDP1LOXL2
SCHEMBL18232514 0.77 DPP4 (0.35) BACE1BACE2SLC6A4DPP4
SCHEMBL18392592 0.73 ADRA2B (0.53) BACE1BACE2CA2CA4SLC6A2
SCHEMBL620594 0.73 DPP4 (0.46) DPP4KDM4EMAPTTDP1LOXL2
SCHEMBL18588922 0.72 HTR2A (0.44) SLC6A4DPP4MAPTGAA
SCHEMBL13973319 0.72 IDO1 (0.46) BACE1KDM4EGAA

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-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 — — EP disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 — — US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 — — 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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC BACE1 4238/4885BACE2 4084/4885CA2 4318/4885

“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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