SCHEMBL5759879

SCHEMBL5759879

COc1cccc2c(Br)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
EP300 Q09472 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AHR P35869 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL28007983 0.96 IDO1 (0.44) IDO1CA12CA1CA2CA4
SCHEMBL30719614 0.86 IDO1 (0.57) IDO1CA12CA1CA2CA4
SCHEMBL1891196 0.86 IDO1 (0.57) IDO1CA12CA1CA2CA4
SCHEMBL357145 0.85 CA1 (0.61) IDO1CA12CA1CA2CA4
SCHEMBL31116611 0.85 CA1 (0.61) IDO1CA12CA1CA2CA4
SCHEMBL7527797 0.84 IDO1 (0.55) IDO1CA12CA1CA2CA4
SCHEMBL30751956 0.84 IDO1 (0.46) IDO1CA12CA1CA2CA4
SCHEMBL12473426 0.80 CA1 (0.55) IDO1CA12CA1CA2CA4
SCHEMBL30952013 0.79 NQO1 (0.48) CA12CA1CA2CA4CA7
SCHEMBL28111436 0.79 SMN1; SMN2 (0.46) IDO1CA12CA1CA2CA4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158427-A1 RED-LIGHT IRIDIUM COMPLEX AND USE THEREOF PHICHEM CORPORATION (CN) 2024-05-16 US disclosed
CN-115716853-A Red light iridium complex and application thereof 上海飞凯材料科技股份有限公司 2023-02-28 CN disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
CN-106478358-A A kind of organic photoelectrical material containing spirane structure and its application 中节能万润股份有限公司 2017-03-08 CN disclosed
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1506190-B1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER HOFFMANN LA ROCHE (CH) 2006-06-14 EP disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-7005432-B2 Substituted imidazol-pyridazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-02-28 US disclosed
US-20050272786-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH (US) 2005-12-08 US disclosed
US-6960607-B2 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH (US) 2005-11-01 US disclosed
EP-1250336-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1248786-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-16 EP disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
EP-1242419-A1 AZABICYCLO 3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
EP-1242411-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046179-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046186-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 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 (3 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-20240158427-A1 RED-LIGHT IRIDIUM COMPLEX AND USE THEREOF IK, F10, DRD3 IDO1 143/4885CA12 869/4885CA1 1694/4885
US-20050272786-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents ESR1, ESRRA, ESR2 IDO1 4229/4885CA12 3074/4885CA1 2661/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 IDO1 2424/4885CA12 4751/4885CA1 4078/4885

“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.