SCHEMBL6037525

SCHEMBL6037525

CCCC(C)(C)N(C(N)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
CYP2C19 P33261 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.38
RIPK1 Q13546 1/20 0.37
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 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
SCHEMBL27477235 0.79 KMT2A (0.41) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL9435677 0.78 KMT2A (0.45) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL10711856 0.74 KMT2A (0.50) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL9564926 0.72 ALDH1A1 (0.37) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL26494973 0.72 ALDH1A1 (0.37) KMT2ACYP2C19MEN1CYP3A4CYP2C9
Butane SCHEMBL10585359 0.71 NPSR1 (0.52) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL1067570 0.71 NPSR1 (0.41) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL8599402 0.70 KMT2A (0.44) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL25542682 0.69 KMT2A (0.43) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL6261729 0.68 TP53 (0.58) KMT2ACYP2C19MEN1CYP3A4CYP2C9

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 14 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
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO 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
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (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 KMT2A 3376/4885CYP2C19 4720/4885MEN1 1437/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885CYP2C19 4720/4885MEN1 1437/4885

“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.