SCHEMBL4895043

SCHEMBL4895043

O=C(NCCF)NCc1cccc(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
EPHX1 P07099 1/20 0.36
FAAH O00519 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
EPHX2 P34913 2/20 0.35
FES P07332 1/20 0.35
RET P07949 1/20 0.35
MARK3 P27448 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL4893933 0.82 NPSR1 (0.49) NPSR1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2635459 0.78 NPSR1 (0.53) NPSR1ALDH1A1HPGDKMT2AKDM1A
SCHEMBL2767293 0.76 NPSR1 (0.77) NPSR1ALDH1A1HPGDKMT2AKDM1A
SCHEMBL16377546 0.76 NPSR1 (0.51) NPSR1ALDH1A1HPGDKMT2AKDM1A
SCHEMBL4893352 0.76 SMN1; SMN2 (0.63) ALDH1A1KMT2ASMN1; SMN2ALOX15NPC1
SCHEMBL4897474 0.72 MTOR (0.56) HPGDEPHX1NPC1RAB9AEPHX2
SCHEMBL4902891 0.71 KMT2A (0.50) ALDH1A1KMT2AEPHX1NPC1RAB9A
SCHEMBL2037151 0.71 NPSR1 (0.61) NPSR1KMT2ASMN1; SMN2ALOX15NPC1
SCHEMBL3510823 0.71 MCL1 (0.53) NPSR1ALDH1A1HPGDKMT2AKDM1A
SCHEMBL2766201 0.71 NPSR1 (0.49) NPSR1ALDH1A1HPGDKMT2AALOX15

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 NPSR1 164/4885ALDH1A1 389/4885HPGD 2416/4885

“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.