SCHEMBL6545593

SCHEMBL6545593

C=[C]c1cn(C(C)=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
PAX8 Q06710 2/20 0.47
CREBBP Q92793 4/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRPF1 P55201 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
BAZ2B Q9UIF8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44

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
SCHEMBL887129 0.79 HTT (0.54) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL887130 0.75 CREBBP (0.55) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL1333179 0.75 HTT (0.54) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL29037094 0.74 NOTUM (0.62) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL4207590 0.74 CREBBP (0.63) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL13806317 0.74 POLB (0.54) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL26170754 0.74 HTT (0.53) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL6545595 0.73 KMT2A (0.62) HTTMEN1KMT2AKDM4ERAB9A
Hydrochloric Acid SCHEMBL17023503 0.72 HTT (0.55) HTTMEN1KMT2AKDM4ENPC1
SCHEMBL28582365 0.72 HTT (0.51) HTTMEN1KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP claimed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO claimed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 HTT 3928/4885MEN1 3863/4885KMT2A 1743/4885

“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.