Sugi Predict

Sugi Predict / Compounds / SCHEMBL310373

SCHEMBL310373

SCHEMBL310373

O=[N+]([O-])c1ccc(F)cc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MPI P34949 1/20 0.46
▸ PHOSPHO1 Q8TCT1 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ HSPB1 P04792 2/20 0.42
▸ AR P10275 2/20 0.42
▸ FAAH O00519 1/20 0.41
▸ BCHE P06276 1/20 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
SCHEMBL29597620 1.00 ALDH1A1 (0.50) ALDH1A1MAPTTDP1ATMMPI
SCHEMBL6771960 0.88 HSPB1 (0.49) MAPTTDP1ATMMPIPHOSPHO1
SCHEMBL10270453 0.84 KDM4E (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2409556 0.84 ALDH1A1 (0.53) ALDH1A1MAPTTDP1ATMSMN1; SMN2
SCHEMBL11764261 0.83 MEN1 (0.43) ALDH1A1MAPTTDP1RAB9AMEN1
SCHEMBL31194220 0.82 RAB9A (0.66) ALDH1A1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL4185071 0.82 RAB9A (0.66) ALDH1A1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL9615856 0.82 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MPIPHOSPHO1
SCHEMBL310522 0.81 MAPT (0.57) ALDH1A1MAPTTDP1ATMRAB9A
SCHEMBL23144752 0.80 PTGS2 (0.43) ALDH1A1MAPTSMN1; SMN2HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258344-B2 Azaaromatic amide derivatives for the treatment of cancer SHENZHEN FORWARD PHARMACEUTICALS CO., LTD. (CN) 2025-03-25 — — US disclosed
US-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-04-04 — — US disclosed
CN-115701429-B 4- (1H-indol-1-yl) pyrimidine-2-amino derivative, and preparation method and application thereof 上海和誉生物医药科技有限公司 2024-03-12 — — CN disclosed
CN-111747950-B Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2024-01-23 — — CN disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 — — EP disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 — — EP disclosed
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 — — EP disclosed
WO-2023046114-A1 PTERIDINONE DERIVATIVE AND USE THEREOF 华东理工大学 2023-03-30 — — WO disclosed
CN-115850281-A Pteridinone derivatives and uses thereof 华东理工大学 2023-03-28 — — CN disclosed
CN-115867539-A 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 — — CN disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed
CN-1863789-A Substituted isoquinolinones PORTOLA PHARM INC (US) 2006-11-15 — — CN disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 — — EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 — — US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 — — WO disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 — — EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 — — US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 — — EP 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R ALDH1A1 1929/4885MAPT 4564/4885TDP1 226/4885
US-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, EGFR ALDH1A1 1961/4885MAPT 4266/4885TDP1 2170/4885
US-12258344-B2 Azaaromatic amide derivatives for the treatment of cancer ERBB4, EGFR, ERBB2 ALDH1A1 1602/4885MAPT 4273/4885TDP1 3430/4885

“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.