SCHEMBL4452224

SCHEMBL4452224

NC(=O)CNCCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
LMNA P02545 3/20 0.54
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.50
CNR1 P21554 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.49
TAAR1 Q96RJ0 3/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8780612 0.84 LMNA (0.55) IDO1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL6976863 0.84 KDM4E (0.53) CYP2C19CYP1A2CYP2D6CA1CA2
SCHEMBL25004248 0.84 GFER (0.46) CA12CA1CA2CA9TAAR1
SCHEMBL4462532 0.82 KDM4E (0.55) CA12CA1CA2CA9CA4
SCHEMBL8338352 0.81 CYP2C9 (0.61) CYP2C19CA12CA1CA2CA9
SCHEMBL4344215 0.81 TAAR1 (0.54) IDO1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL9776037 0.80 HDAC3 (0.46) IDO1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL9776038 0.80 HDAC3 (0.46) IDO1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL9776024 0.80 HDAC3 (0.46) IDO1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL9544244 0.79 CYP1A2 (0.51) LMNACYP2C19CYP1A2CYP2D6CNR1

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 IDO1 4313/4885LMNA 120/4885CYP2C19 2889/4885

“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.