SCHEMBL4017640

SCHEMBL4017640

CCOc1ccc2c(c1)C(NC(=O)NCCF)CCC2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.55
NQO2 P16083 2/20 0.50
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ACHE P22303 1/20 0.43
DHODH Q02127 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4016297 0.89 MTNR1A (0.54) KMT2AHTTNQO2MTNR1AMTNR1B
SCHEMBL4017021 0.82 MTNR1A (0.54) NQO2MTNR1AMTNR1B
SCHEMBL4016560 0.79 HTT (0.51) KMT2AHTTALDH1A1EPHX2MEN1
SCHEMBL4014048 0.76 TRPV1 (0.49) KMT2AHTTLMNAEPHX2MEN1
SCHEMBL23363427 0.75 KMT2A (0.56) KMT2AHTTNQO2MTNR1AMTNR1B
SCHEMBL27200806 0.75 KMT2A (0.56) KMT2AHTTNQO2MTNR1AMTNR1B
SCHEMBL4017499 0.75 EPHX2 (0.49) KMT2AHTTEPHX2DHODH
SCHEMBL4018109 0.75 HTT (0.71) KMT2AHTTLMNAALDH1A1EPHX2
SCHEMBL8575355 0.74 HTT (0.70) KMT2AHTTALDH1A1EPHX2MEN1
SCHEMBL4017836 0.74 EPHX2 (0.48) KMT2AHTTLMNAEPHX2ACHE

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-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C KMT2A 1449/4885HTT 3760/4885NQO2 555/4885

“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.