SCHEMBL20747778

SCHEMBL20747778

COC(=O)C(=N)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
POLB P06746 4/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5318618 0.82 CES2 (0.65) CES2CES1POLBTSHRALDH1A1
SCHEMBL19309837 0.81 TSHR (0.55) POLBTSHRALDH1A1KMT2AMAPT
SCHEMBL28002678 0.79 POLB (0.50) CES2CES1POLBTSHRALDH1A1
SCHEMBL24765989 0.79 CTSD (0.56) TSHRALDH1A1HPGDRAB9AMAPT
SCHEMBL5917992 0.78 POLB (0.48) CES2CES1POLBTSHRALDH1A1
SCHEMBL15101175 0.78 TSHR (0.49) CES2CES1POLBTSHRALDH1A1
SCHEMBL11080638 0.78 POLB (0.47) CES2CES1POLBTSHRALDH1A1
SCHEMBL196555 0.78 LMNA (0.61) CES2CES1POLBTSHRALDH1A1
SCHEMBL30488606 0.78 LMNA (0.61) CES2CES1POLBTSHRALDH1A1
SCHEMBL3436440 0.77 ERCC5 (0.67) CES2CES1POLBTSHRALDH1A1

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-10207984-B2 Cyclopropyl derivatives and methods of use EMORY UNIVERSITY (US) 2019-02-19 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-10207984-B2 Cyclopropyl derivatives and methods of use CNR2, FKBP8, FKBP5 CES2 376/4885CES1 1423/4885POLB 4532/4885

“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.