SCHEMBL9937305

SCHEMBL9937305

COC(=O)c1c[nH]c2cccc(C)c12

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 11/20 0.70
▸ CREBBP Q92793 1/20 0.59
▸ NPC1 O15118 1/20 0.48
▸ GPR84 Q9NQS5 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.44
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDE1C Q14123 1/20 0.42

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
SCHEMBL1223596 0.87 NR4A2 (0.61) NR4A2CREBBPNPC1PDE1C
SCHEMBL29886596 0.87 NR4A2 (0.61) NR4A2CREBBPNPC1PDE1C
SCHEMBL18837110 0.84 NR4A2 (0.51) NR4A2CREBBPNPC1GPR84CTNNB1
SCHEMBL26250363 0.83 NR4A2 (0.68) NR4A2CREBBPMAP2K1RAB9APDE1C
SCHEMBL9937058 0.83 NR4A2 (1.00) NR4A2CREBBPGPR84MAP2K1RAB9A
SCHEMBL2035795 0.83 NR4A2 (0.68) NR4A2CREBBPGPR84MAP2K1
SCHEMBL5329797 0.83 NR4A2 (0.68) NR4A2CREBBPNPC1CTNNB1WNT3A
SCHEMBL3554889 0.83 NR4A2 (0.68) NR4A2CREBBPMAP2K1RAB9A
SCHEMBL3995494 0.81 GPR84 (0.51) NR4A2NPC1GPR84CTNNB1WNT3A
SCHEMBL15356576 0.81 PBRM1 (0.56) NR4A2CREBBPNPC1GPR84CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 — — US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 — — US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 — — EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 — — 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885CREBBP 3960/4885NPC1 2844/4885

“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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