SCHEMBL4905769

SCHEMBL4905769

Cc1cc(CNC(=O)NCCF)nn1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 7/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 3/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 3/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 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
SCHEMBL13870640 0.83 HTT (0.61) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL2631530 0.82 HTT (0.53) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL2755869 0.81 ALDH1A1 (0.60) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL4897469 0.77 RAB9A (0.55) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL4904477 0.72 KMT2A (0.45) SMN1; SMN2HPGDALOX15KMT2ANPC1
SCHEMBL17092385 0.71 ALDH1A1 (0.53) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL4893933 0.71 NPSR1 (0.49) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL17029122 0.70 ALDH1A1 (0.62) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL2237134 0.70 BCHE (0.47) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL1587967 0.70 ALDH1A1 (0.61) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A HTT 2853/4885SMN1; SMN2 2419/4885ALDH1A1 389/4885

“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.