SCHEMBL6037568

SCHEMBL6037568

CCCN(C(N)=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
MLYCD O95822 1/20 0.40
ALOX5 P09917 1/20 0.40
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL9418801 0.86 NPC1 (0.54) TP53ALDH1A1MLYCDCNR2
SCHEMBL5681948 0.85 ALOX5 (0.42) TP53ALDH1A1MAPTMLYCDALOX5
SCHEMBL9435970 0.85 ADRA2A (0.44) TP53ALDH1A1MAPTMLYCDSMN1; SMN2
SCHEMBL10963549 0.85 ALDH1A1 (0.47) TP53ALDH1A1MAPTMLYCDCNR2
SCHEMBL6698097 0.83 TP53 (0.44) TP53ALDH1A1MAPTMLYCDSMN1; SMN2
SCHEMBL6261729 0.83 TP53 (0.58) TP53ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27840267 0.82 POLB (0.46) TP53MLYCDOPRM1
Hydrochloric Acid SCHEMBL27349395 0.81 TP53 (0.56) TP53ALDH1A1SMN1; SMN2
SCHEMBL7704917 0.80 TP53 (0.42) TP53MAPTMLYCDCNR2OPRM1
SCHEMBL6605814 0.80 TP53 (0.39) TP53ALDH1A1MLYCDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP 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 (2 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TP53 3223/4885ALDH1A1 450/4885MAPT 2771/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TP53 3223/4885ALDH1A1 450/4885MAPT 2771/4885

“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.