Sugi Predict

Sugi Predict / Compounds / SCHEMBL3452978

SCHEMBL3452978

SCHEMBL3452978

O=C1c2ccccc2Cc2cc(N=Nc3cc4c(c5ccccc35)C(=O)c3ccccc3C4)c3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.52
▸ CES1 P23141 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MIF P14174 3/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ TNF P01375 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ STK17B O94768 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL10756250 0.81 MAOA (0.55) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL5958453 0.79 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL7742221 0.79 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL1987356 0.79 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL8012706 0.79 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11150519 0.79 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11426388 0.77 MAOA (0.50) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL10703055 0.77 MAOA (0.59) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11041877 0.76 MEN1 (0.49) MAOACES1BCHEALDH1A1MIF
SCHEMBL10882387 0.76 MAOA (0.49) MAOACES1BCHEALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846920-B2 Metal complexes MERCK PATENT GMBH (DE) 2014-09-30 — — US disclosed
US-20100331506-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-12-30 — — US disclosed
US-7820822-B2 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon MERCK PATENT GMBH (DE) 2010-10-26 — — US disclosed
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon UDC IRELAND LIMITED (IE) 2007-02-15 — — US disclosed
US-4094839-A Preparations for coloring molten thermoplastic polymers CIBA-GEIGY CORPORATION (US) 1978-06-13 — — 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 (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-20100331506-A1 METAL COMPLEXES SOD1, AP1M1, AP2M1 MAOA 757/4885CES1 4578/4885BCHE 3025/4885
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon NISCH, CISD1, AFF1 MAOA 629/4885CES1 1272/4885BCHE 1571/4885

“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.