SCHEMBL16680296

SCHEMBL16680296

COC(=O)CC(NC(C)C)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CFD P00746 1/20 0.41
TSHR P16473 1/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL16680293 1.00 ALDH1A1 (0.54) ALDH1A1HTTMAPTHPGDLMNA
SCHEMBL16680800 0.84 ALDH1A1 (0.47) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL16680798 0.84 ALDH1A1 (0.47) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL4856344 0.82 ALDH1A1 (0.49) ALDH1A1HTTMAPTLMNAGAA
SCHEMBL28008554 0.81 HTT (0.54) ALDH1A1HTTMAPTHPGDLMNA
SCHEMBL20993600 0.81 HTT (0.54) ALDH1A1HTTMAPTHPGDLMNA
SCHEMBL12268175 0.80 ALDH1A1 (0.59) ALDH1A1HTTMAPTHPGDLMNA
SCHEMBL17451233 0.80 ALDH1A1 (0.59) ALDH1A1HTTMAPTHPGDLMNA
SCHEMBL12744760 0.80 ALDH1A1 (0.59) ALDH1A1HTTMAPTHPGDLMNA
SCHEMBL4855579 0.79 ALDH1A1 (0.48) ALDH1A1HTTMAPTLMNARAB9A

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-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI ALDH1A1 2221/4885HTT 3718/4885MAPT 3161/4885

“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.