Sugi Predict

Sugi Predict / Compounds / SCHEMBL12868652

SCHEMBL12868652

SCHEMBL12868652

CC(C)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ VCAM1 P19320 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CA1 P00915 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ EPAS1 Q99814 1/20 0.43
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MITF O75030 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
SCHEMBL30155394 0.87 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL2698568 0.87 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL6314030 0.86 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL2340870 0.86 EPAS1 (0.56) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL27734066 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL16950918 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL16654006 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL14434051 0.85 ATM (0.58) ALDH1A1HIF1AVCAM1SMN1; SMN2ATM
SCHEMBL257444 0.83 VCAM1 (0.51) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL10347723 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321648-B P-containing organic electrophosphorescent material and application thereof 北京燕化集联光电技术有限公司 2022-12-02 — — CN disclosed
CN-112175016-B Organic electrophosphorescent luminescent material and application thereof 北京燕化集联光电技术有限公司 2022-11-11 — — CN disclosed
CN-112321647-B Iridium complex containing benzimidazole structure and application thereof 北京燕化集联光电技术有限公司 2022-08-16 — — CN disclosed
CN-112341499-B Sulfur-containing organic electrophosphorescent luminescent material and application thereof 北京燕化集联光电技术有限公司 2022-07-12 — — CN disclosed
CN-112209973-B Oxygen-containing organic electrophosphorescent material and application thereof 北京燕化集联光电技术有限公司 2022-06-24 — — CN disclosed
CN-112175017-B Organic electrophosphorescent material and application thereof 北京燕化集联光电技术有限公司 2022-06-14 — — CN disclosed
CN-112341499-A Sulfur-containing organic electrophosphorescent luminescent material and application thereof 北京燕化集联光电技术有限公司 2021-02-09 — — CN disclosed
CN-112321647-A Iridium complex containing benzimidazole structure and application thereof 北京燕化集联光电技术有限公司 2021-02-05 — — CN disclosed
CN-112321648-A P-containing organic electrophosphorescent material and application thereof 北京燕化集联光电技术有限公司 2021-02-05 — — CN disclosed
CN-112209973-A O-containing organic electrophosphorescent material and application thereof 北京燕化集联光电技术有限公司 2021-01-12 — — CN disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 — — EP disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 — — US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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 (4 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885HIF1A 1824/4885VCAM1 3108/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885HIF1A 1824/4885VCAM1 3108/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885HIF1A 1824/4885VCAM1 3108/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885HIF1A 1824/4885VCAM1 3108/4885

“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.