SCHEMBL6037577

SCHEMBL6037577

Cc1ccc(N(C(N)=O)c2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.49
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK14 Q16539 2/20 0.43
PARP1 P09874 1/20 0.42
CETP P11597 1/20 0.42
HCRTR2 O43614 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDR P35968 1/20 0.40
ACHE P22303 1/20 0.40
KCNN4 O15554 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PTGDR Q13258 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL6037507 0.83 ACHE (0.50) ALDH1A1KMT2AMAPK14ACHEKCNN4
SCHEMBL6037581 0.83 ALDH1A1 (0.46) MEN1ALDH1A1KMT2APARP1CYP3A4
SCHEMBL77003 0.81 TRPM8 (0.53) PTGIRMEN1ALDH1A1KMT2ACYP2C19
SCHEMBL77001 0.81 TRPM8 (0.53) PTGIRMEN1ALDH1A1KMT2ACYP2C19
SCHEMBL1954828 0.81 ALOX5 (0.47) MEN1ALDH1A1KMT2AACHENFE2L2
SCHEMBL27499247 0.81 PTGIR (0.39) PTGIRALDH1A1MAPK14PARP1CYP3A4
SCHEMBL4606083 0.78 PARP1 (0.52) MEN1ALDH1A1KMT2APARP1CYP3A4
SCHEMBL6037516 0.77 MAPK14 (0.42) PTGIRMEN1ALDH1A1KMT2AMAPK14
SCHEMBL6037479 0.77 KDR (0.42) MEN1ALDH1A1KMT2AMAPK14KDR
SCHEMBL366746 0.77 PARP1 (0.47) PTGIRMEN1ALDH1A1KMT2APARP1

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 PTGIR 238/4885MEN1 1437/4885ALDH1A1 450/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM PTGIR 238/4885MEN1 1437/4885ALDH1A1 450/4885

“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.