SCHEMBL16509205

SCHEMBL16509205

CC(=O)C(NC(=O)N(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.44
ALDH1A1 P00352 5/20 0.42
MTOR P42345 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL890232 1.00 TACR3 (0.44) TACR3ALDH1A1MTORMAPTMAPK1
SCHEMBL304497 0.87 FPR2 (0.47) ALDH1A1MTORMAPTMAPK1KMT2A
SCHEMBL634437 0.87 FPR2 (0.47) ALDH1A1MTORMAPTMAPK1KMT2A
SCHEMBL8912182 0.83 MTOR (0.44) ALDH1A1MTORMAPTMAPK1KMT2A
SCHEMBL12463084 0.83 HPGD (0.42) TACR3ALDH1A1MTORPOLBKMT2A
SCHEMBL8907649 0.81 ALDH1A1 (0.45) ALDH1A1MTORMAPTMAPK1POLB
SCHEMBL10150894 0.81 ALDH1A1 (0.41) ALDH1A1MTORMAPTMAPK1POLB
SCHEMBL18610229 0.81 TACR3 (0.48) TACR3ALDH1A1POLBKMT2AMTNR1A
SCHEMBL890060 0.81 TACR3 (0.48) TACR3ALDH1A1POLBKMT2AMTNR1A
SCHEMBL5744468 0.81 TACR3 (0.48) TACR3ALDH1A1POLBKMT2AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TACR3 4012/4885ALDH1A1 365/4885MTOR 2046/4885

“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.