Sugi Predict

Sugi Predict / Compounds / SCHEMBL2769896

SCHEMBL2769896

SCHEMBL2769896

O=C(c1ccccc1)n1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ ELANE P08246 3/20 0.49
▸ F2 P00734 2/20 0.49
▸ PLAU P00749 2/20 0.49
▸ KLKB1 P03952 1/20 0.49
▸ CTRB1 P17538 1/20 0.49
▸ PPARG P37231 1/20 0.47

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
SCHEMBL2927570 0.84 SLC6A2 (0.48) PLAUTDP1CYP19A1TP53ALDH1A1
SCHEMBL13302248 0.83 TUBB1 (0.55) RAB9AELANEALDH1A1KMT2ALMNA
SCHEMBL28387754 0.81 GRM4 (0.47) RAB9AL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL2850756 0.80 KMT2A (0.48) CYP19A1ALDH1A1KMT2ALMNAMEN1
SCHEMBL5101504 0.80 DGAT1 (0.48) TSHRRAB9APPARGTP53ALDH1A1
SCHEMBL29642981 0.80 NOTUM (0.51) CYP19A1ALDH1A1KMT2ASLC6A2MEN1
SCHEMBL5176754 0.80 NOTUM (0.51) CYP19A1ALDH1A1KMT2ASLC6A2MEN1
SCHEMBL3919322 0.79 TUBB1 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5069167 0.78 TSHR (0.68) TSHRRAB9AL3MBTL1HDAC3HDAC4
SCHEMBL28777920 0.77 ELANE (0.46) RAB9AELANEF2PLAUKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442016-A4 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2005-05-25 — — EP claimed
CN-1568311-A 1H-Indole Derivatives as Highly Selective Cyclooxygenase-2 Inhibitors CHEIL JEDANG CORP (KR) 2005-01-19 — — CN claimed
EP-1442016-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR Cheil Jedang Corporation (KR) 2004-08-04 — — EP claimed
US-20030109568-A1 1H-indole derivatives as a highly selective cyclooxygenase-2 inhibitor CHEIL JEDANG CORPORATION (KR) 2003-06-12 — — US claimed
WO-2003031409-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORPORATION (KR) 2003-04-17 — — WO claimed
EP-1442016-B1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CHEILJEDANG CORP (KR) 2010-04-21 — — EP disclosed
US-7626026-B2 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment UNIVERSITY OF BRADFORD (GB) 2009-12-01 — — US disclosed
EP-1409480-B1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT UNIV LONDON PHARMACY (GB) 2007-11-14 — — EP disclosed
CN-1290832-C 1h-indole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CHEILJEDANG CORP (KR) 2006-12-20 — — CN disclosed
EP-1442016-A4 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2005-05-25 — — EP disclosed
CN-1568311-A 1H-Indole Derivatives as Highly Selective Cyclooxygenase-2 Inhibitors CHEIL JEDANG CORP (KR) 2005-01-19 — — CN disclosed
US-20040157873-A1 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment INCANTHERA LIMITED (GB) 2004-08-12 — — US disclosed
EP-1442016-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR Cheil Jedang Corporation (KR) 2004-08-04 — — EP disclosed
EP-1409480-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2004-04-21 — — EP disclosed
US-6599929-B2 Cyclooxygenase-2 is induced by inflammatory factors, hormones, growth factors, cytokines etc CHEIL JEDANG CORPORATION (KR) 2003-07-29 — — US disclosed
WO-2003053341-A2 ANTISENSE MODULATION OF SHIP-1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-07-03 — — WO disclosed
US-20030109568-A1 1H-indole derivatives as a highly selective cyclooxygenase-2 inhibitor CHEIL JEDANG CORPORATION (KR) 2003-06-12 — — US disclosed
WO-2003031409-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORPORATION (KR) 2003-04-17 — — WO disclosed
WO-2002068412-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2002-09-06 — — 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-20030109568-A1 1H-indole derivatives as a highly selective cyclooxygenase-2 inhibitor IDO1, IDO2, PTGS1 TSHR 3815/4885RAB9A 4415/4885L3MBTL1 4253/4885
US-20040157873-A1 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment CYP1B1, TOP1, CYP1A1 TSHR 4126/4885RAB9A 1819/4885L3MBTL1 2292/4885

“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.