SCHEMBL6809913

SCHEMBL6809913

[CH2]c1ccc(N(C(N)=O)c2ccccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7416227 0.85 SIGMAR1 (0.37) SIGMAR1LMNAESR1ESR2CYP3A4
SCHEMBL1954826 0.82 SIGMAR1 (0.44) SIGMAR1LMNACYP3A4TRPM8HSD17B1
SCHEMBL5994911 0.81 SIGMAR1 (0.36) SIGMAR1LMNAESR1ESR2CYP3A4
SCHEMBL6037534 0.80 HSD17B1 (0.36) SIGMAR1LMNAESR1ESR2HSD17B1
SCHEMBL28425336 0.79 NPC1 (0.45) SIGMAR1LMNANPSR1MEN1KMT2A
SCHEMBL3892110 0.79 TRPM8 (0.47) LMNATRPM8HPGDSMN1; SMN2ALDH1A1
SCHEMBL5477921 0.79 LMNA (0.45) LMNAESR1NPSR1MEN1KMT2A
SCHEMBL6033646 0.79 TRPM8 (0.38) SIGMAR1LMNAESR1ESR2CYP3A4
SCHEMBL28424914 0.75 HSD17B10 (0.51) SIGMAR1LMNAMEN1KMT2AKDM4E
SCHEMBL6037537 0.74 ESR1 (0.45) LMNAESR1ESR2TRPM8HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed
US-6069163-A SUBSTITUTED AZAPEPEPTIDE ACIDS ARE SUITABLE FOR USE IN THE TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS MERCK & CO., INC. (US) 2000-05-30 US disclosed
WO-1999020272-A1 AZAPEPTIDE ACIDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-04-29 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM SIGMAR1 1199/4885LMNA 875/4885ESR1 3074/4885

“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.