SCHEMBL6037502

SCHEMBL6037502

Cc1ccc(N(C(N)=O)c2ccccc2N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ GAA P10253 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ P2RX4 Q99571 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ C5AR1 P21730 1/20 0.38
▸ HSD17B1 P14061 2/20 0.37
▸ HSD17B2 P37059 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36

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
SCHEMBL6037588 0.83 TRPM8 (0.40) ALDH1A1GAAMAPTTP53SMN1; SMN2
SCHEMBL6037482 0.83 TRPM8 (0.40) ALDH1A1GAATSHRMAPTTP53
SCHEMBL6037488 0.82 KDR (0.46) TRPM8KDM4EKDRALOX5RAB9A
SCHEMBL77003 0.80 TRPM8 (0.53) ALDH1A1GAATSHRSMN1; SMN2TRPM8
SCHEMBL77001 0.80 TRPM8 (0.53) ALDH1A1GAATSHRSMN1; SMN2TRPM8
SCHEMBL1954828 0.80 ALOX5 (0.47) ALDH1A1GAATSHRSMN1; SMN2TRPM8
SCHEMBL6037537 0.79 ESR1 (0.45) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL6037560 0.78 ALDH1A1 (0.39) ALDH1A1GAAMAPTSMN1; SMN2TRPM8
SCHEMBL6037497 0.78 TSHR (0.56) ALDH1A1TSHRSMN1; SMN2KDM4EHTT
SCHEMBL6037563 0.78 KDR (0.40) MAPTTP53SMN1; SMN2TRPM8HTT

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 ALDH1A1 450/4885GAA 2920/4885TSHR 4335/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885GAA 2920/4885TSHR 4335/4885

“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.

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