SCHEMBL6037488

SCHEMBL6037488

Cc1ccc(N(C(N)=O)c2ccccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPK14 Q16539 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
AGTR2 P50052 1/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
KCNN4 O15554 2/20 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
SCHEMBL6037585 0.88 ESR1 (0.48) KDRESR1ESR2TRPM8HCRTR2
SCHEMBL28149385 0.86 NPSR1 (0.52) KDRESR1ESR2KDM4EL3MBTL1
SCHEMBL30883191 0.82 L3MBTL1 (0.43) L3MBTL1NPSR1NPC1RAB9AKCNN4
SCHEMBL6037588 0.82 TRPM8 (0.40) KDRKDM4ETRPM8MAPK14NPSR1
SCHEMBL6037482 0.82 TRPM8 (0.40) KDRESR1ESR2KDM4ETRPM8
SCHEMBL6037502 0.82 ALDH1A1 (0.42) KDRKDM4ETRPM8NPSR1ALOX5
SCHEMBL6037479 0.81 KDR (0.42) KDRESR1ESR2MAPK14MEN1
SCHEMBL6037560 0.80 ALDH1A1 (0.39) KDRESR1KDM4ETRPM8NPSR1
SCHEMBL77001 0.79 TRPM8 (0.53) L3MBTL1TRPM8NPSR1MEN1KMT2A
SCHEMBL77003 0.79 TRPM8 (0.53) L3MBTL1TRPM8NPSR1MEN1KMT2A

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 KDR 2349/4885ESR1 4458/4885ESR2 3431/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KDR 2349/4885ESR1 4458/4885ESR2 3431/4885

“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.