SCHEMBL7424019

SCHEMBL7424019

COC(=O)[C@H](Cc1ccc(N)cc1)NCc1c(Cl)cncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ITGB1 P05556 4/20 0.40
ITGA4 P13612 4/20 0.40
ATM Q13315 2/20 0.39
LCK P06239 1/20 0.39
NOS2 P35228 4/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
P2RX7 Q99572 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL3316694 0.88 MEN1 (0.50) LNPEPKMT2AMEN1ITGB1ITGA4
SCHEMBL7428016 0.82 ITGA4 (0.58) LNPEPITGB1ITGA4ATM
Hydrochloric Acid SCHEMBL6510331 0.81 ITGA4 (0.57) LNPEPITGB1ITGA4ATM
SCHEMBL7432829 0.77 ITGB1 (0.44) ITGB1ITGA4
Hydrochloric Acid SCHEMBL27577165 0.76 KMT2A (0.51) LNPEPKMT2AMEN1ITGB1ITGA4
Hydrochloric Acid SCHEMBL6108925 0.76 ITGA4 (0.50) KMT2AMEN1ITGB1ITGA4L3MBTL1
Hydrochloric Acid SCHEMBL6738903 0.76 KMT2A (0.51) LNPEPKMT2AMEN1ITGB1ITGA4
SCHEMBL13398330 0.74 LNPEP (0.48) LNPEPKMT2AATMNOS2NOS3
SCHEMBL13628884 0.74 LNPEP (0.48) LNPEPKMT2AATMNOS2NOS3
SCHEMBL7896689 0.73 NOS2 (0.48) LNPEPKMT2AMEN1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035127-A1 Phenylalanine derivatives CELLTECH THERAPEUTIS, LIMITED 2002-03-21 US disclosed
US-6329372-B1 HETEROCYCLIC AMIDE COMPOUNDS ARE ABLE TO INHIBIT THE BINDING OF ALPHA4 INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS. CELLTECH THERAPEUTICS LIMITED (GB) 2001-12-11 US disclosed
EP-1051399-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2000-11-15 EP disclosed
WO-1999037618-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-29 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-20020035127-A1 Phenylalanine derivatives PAH, VCAM1, IL4I1 LNPEP 848/4885KMT2A 2045/4885MEN1 3988/4885

“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.