SCHEMBL4904332

SCHEMBL4904332

COc1c(Br)cccc1CNC(=O)NCCF

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ROCK2 O75116 3/20 0.39
ANPEP P15144 1/20 0.38
HTR2A P28223 2/20 0.38
ROCK1 Q13464 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL4893856 0.85 MTNR1A (0.40) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL4893187 0.84 NPC1 (0.51) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL4902891 0.82 KMT2A (0.50) KMT2AALDH1A1RAB9AANPEPNPC1
SCHEMBL3394171 0.80 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4901099 0.80 NPC1 (0.47) KMT2AMEN1ALDH1A1RAB9AMAPK1
SCHEMBL31143000 0.75 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL8008650 0.75 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL13568968 0.74 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4900916 0.73 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL4895030 0.71 NPC1 (0.47) KMT2AMEN1ALDH1A1KDM4ERAB9A

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 KMT2A 1150/4885MEN1 3899/4885ALDH1A1 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.