SCHEMBL2751428

SCHEMBL2751428

O=C(Cc1cccc2ccccc12)N(CCc1nc(-c2ccncc2)no1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RECQL P46063 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ DNMT3B Q9UBC3 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL2753504 0.84 FNTA (0.46) SMN1; SMN2ALDH1A1FNTAFNTBSIGMAR1
SCHEMBL2751014 0.79 SIGMAR1 (0.42) TSHRSMN1; SMN2ALDH1A1NPSR1FNTA
SCHEMBL2751864 0.79 FNTA (0.44) SMN1; SMN2ALDH1A1LMNAFNTAFNTB
SCHEMBL2751731 0.79 SIGMAR1 (0.42) TSHRSMN1; SMN2ALDH1A1NPSR1FNTA
SCHEMBL2751897 0.78 FNTA (0.42) TSHRSMN1; SMN2ALDH1A1NPSR1FNTA
SCHEMBL2749764 0.77 FNTA (0.45) TSHRSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL2751266 0.77 FNTA (0.45) TSHRSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL2752175 0.76 SIGMAR1 (0.41) TSHRSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL2753067 0.75 FNTA (0.40) SMN1; SMN2ALDH1A1MAPTFNTAFNTB
SCHEMBL2751185 0.75 SIGMAR1 (0.40) TSHRSMN1; SMN2ALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 — — US claimed
EP-1611123-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-02 — — EP claimed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 — — US claimed
EP-1611123-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 — — EP claimed
WO-2004091480-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 — — WO claimed
EP-1611123-B1 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2013-10-02 — — EP disclosed
EP-1611123-B1 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2013-10-02 — — EP disclosed
US-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 — — US disclosed
EP-1611123-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-02 — — EP disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 — — US disclosed
EP-1611123-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 — — EP disclosed
WO-2004091480-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 — — 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 (1 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-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR TSHR 4226/4885SMN1; SMN2 3129/4885RECQL 4131/4885

“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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