SCHEMBL4902891

SCHEMBL4902891

O=C(NCCF)NCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
RIPK1 Q13546 1/20 0.50
ANPEP P15144 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.45
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CASR P41180 1/20 0.43
EPHX1 P07099 1/20 0.42
P2RX7 Q99572 3/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL4901099 0.85 NPC1 (0.47) KMT2ARIPK1ANPEPNPC1RAB9A
SCHEMBL4901844 0.82 PPIA (0.55) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL4904332 0.82 KMT2A (0.46) KMT2AANPEPNPC1RAB9AALDH1A1
SCHEMBL4900916 0.81 ALDH1A1 (0.55) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL4892285 0.81 NPC1 (0.49) KMT2ANPC1RAB9AMAPTCASR
SCHEMBL5444745 0.79 KMT2A (0.51) KMT2ARIPK1ANPEPNPC1RAB9A
SCHEMBL4901901 0.78 EPHX2 (0.52) NPC1RAB9AP2RX7EPHX2
SCHEMBL14088790 0.76 EPHX1 (0.71) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL2456852 0.75 KMT2A (0.58) KMT2ARIPK1ANPEPNPC1RAB9A
SCHEMBL28559896 0.75 KMT2A (0.63) KMT2ARIPK1ANPEPNPC1RAB9A

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 1150/4885RIPK1 4878/4885ANPEP 1718/4885

“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.