SCHEMBL5994906

SCHEMBL5994906

Cc1ccccc1N(C(N)=O)c1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6798623 0.83 CYP3A4 (0.32) CYP3A4ALOX5KDM4E
SCHEMBL1954826 0.81 SIGMAR1 (0.44) SIGMAR1LMNACYP3A4TRPM8TSHR
SCHEMBL6804244 0.80 PTPN1 (0.43) KDM4EHPGDALDH1A1
SCHEMBL6796726 0.79 BCAT2 (0.40) LMNAALOX5HPGDALDH1A1
SCHEMBL6798273 0.79 SIGMAR1 (0.42) SIGMAR1ALOX5KDM4EALDH1A1
SCHEMBL1416436 0.77 NPSR1 (0.45) LMNACYP3A4TRPM8TSHRNPSR1
SCHEMBL6792417 0.77 PLAU (0.38) SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL5994911 0.76 SIGMAR1 (0.36) SIGMAR1LMNACYP3A4TRPM8TSHR
SCHEMBL11412194 0.75 SIGMAR1 (0.33) SIGMAR1LMNACYP3A4TRPM8TSHR
SCHEMBL27556184 0.74 MAPT (0.35) LMNACYP3A4TSHRALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917462-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-09-13 EP disclosed
US-20060030553-A1 Cell adhesion inhibitors ZHENG ZHONGLI 2006-02-09 US disclosed
US-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US disclosed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US disclosed
US-6686350-B1 Cell adhesion inhibitors BIOGEN, INC. 2004-02-03 US 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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SIGMAR1 4304/4885LMNA 2271/4885CYP3A4 4841/4885
US-20060030553-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SIGMAR1 4304/4885LMNA 2271/4885CYP3A4 4841/4885

“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.