SCHEMBL9937058

SCHEMBL9937058

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 12/20 1.00
▸ CREBBP Q92793 1/20 0.58
▸ GPR84 Q9NQS5 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13013339 0.85 NR4A2 (0.74) NR4A2CREBBPGPR84IDO1
SCHEMBL3995062 0.84 NR4A2 (0.72) NR4A2CREBBPGPR84IDO1
SCHEMBL21438856 0.83 NR4A2 (0.70) NR4A2CREBBPGPR84RAB9ASMN1; SMN2
SCHEMBL9937305 0.83 NR4A2 (0.70) NR4A2CREBBPGPR84MAP2K1RAB9A
SCHEMBL5329797 0.81 NR4A2 (0.68) NR4A2CREBBPRAB9A
SCHEMBL26250363 0.81 NR4A2 (0.68) NR4A2CREBBPMAP2K1RAB9A
SCHEMBL2035795 0.81 NR4A2 (0.68) NR4A2CREBBPGPR84MAP2K1
SCHEMBL3554889 0.81 NR4A2 (0.68) NR4A2CREBBPMAP2K1RAB9A
SCHEMBL3996872 0.80 NR4A2 (0.67) NR4A2GPR84
SCHEMBL21037791 0.79 NR4A2 (0.65) NR4A2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 — — CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 — — US disclosed
WO-2018147626-A1 NOVEL HETEROCYCLIC COMPOUND, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-08-16 — — WO disclosed
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
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 — — CN 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 (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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885CREBBP 3960/4885GPR84 3715/4885
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS NR4A2 4274/4885CREBBP 483/4885GPR84 4666/4885

“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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