SCHEMBL12075461

SCHEMBL12075461

CCc1cccc(OC[C@H](F)CN)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
SOD1 P00441 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL12075473 1.00 MAPK1 (0.48) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL29686538 0.84 SMN1; SMN2 (0.52) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL12075476 0.84 SMN1; SMN2 (0.52) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL12075867 0.84 SMN1; SMN2 (0.52) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL6159061 0.84 SMN1; SMN2 (0.52) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL20201962 0.83 ALDH1A1 (0.49) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL17277505 0.83 SCN4A (0.50) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL17277359 0.83 SCN4A (0.50) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL17277545 0.81 CFD (0.40)
SCHEMBL17277322 0.81 ADRB2 (0.52) L3MBTL1SMN1; SMN2GAA

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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MAPK1 3970/4885L3MBTL1 606/4885TSHR 4385/4885

“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.