SCHEMBL11987335

SCHEMBL11987335

Cc1cc(-c2nnc(-c3cnc4ccccc4c3)o2)cc(-c2nnc(-c3cnc4ccccc4c3)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP2A6 P11509 1/20 0.44
▸ UTRN P46939 2/20 0.44
▸ ATR Q13535 2/20 0.44
▸ BIRC5 O15392 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 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
SCHEMBL11987330 0.87 PDGFRB (0.51) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL4169352 0.86 BIRC5 (0.54) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987321 0.86 NPC1 (0.54) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987345 0.85 NPC1 (0.51) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987656 0.85 PDGFRB (0.46) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987344 0.83 CYP1A2 (0.58) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987341 0.81 BIRC5 (0.48) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987325 0.80 PDGFRB (0.44) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL11987327 0.79 PDGFRB (0.47) CYP1A2SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL1423059 0.78 CYP2A6 (0.70) CYP1A2SMN1; SMN2HPGDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 — — US 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-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, ORC3, OCIAD1 CYP1A2 414/4885SMN1; SMN2 3119/4885HPGD 1813/4885

“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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