SCHEMBL310522

SCHEMBL310522

CCOc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 6/20 0.55
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
RECQL P46063 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.48
PKM P14618 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSPB1 P04792 1/20 0.44

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
SCHEMBL3514013 0.87 MAPT (0.53) MAPTALDH1A1LMNATDP1ATM
SCHEMBL1136125 0.87 LMNA (0.54) MAPTALDH1A1LMNATDP1ATM
SCHEMBL10477058 0.86 MAPT (0.52) MAPTALDH1A1LMNATDP1ATM
SCHEMBL3514222 0.84 MAPT (0.51) MAPTALDH1A1LMNATDP1ATM
SCHEMBL2369186 0.84 ALDH1A1 (0.53) MAPTALDH1A1TDP1ATMRECQL
SCHEMBL9027758 0.83 ALDH1A1 (0.59) MAPTALDH1A1LMNATDP1MAPK1
SCHEMBL29382840 0.83 NPC1 (0.54) MAPTALDH1A1LMNATDP1ATM
SCHEMBL309683 0.83 ALDH1A1 (0.52) MAPTALDH1A1TDP1ATMRECQL
SCHEMBL2833379 0.83 NPC1 (0.54) MAPTALDH1A1LMNATDP1ATM
SCHEMBL3199054 0.81 ALDH1A1 (0.64) MAPTALDH1A1TDP1ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO 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
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
US-6414001-B2 Ether and amide compounds preparation thereof composition containing same and use thereof as antidiadetics KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2002-07-02 US disclosed
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2001-07-19 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US disclosed
EP-0019388-B1 PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED PHENOLS AND PHENATES AND THE PREPARATION, FROM THESE PHENOLS AND PHENATES, OF NITRO- AND TRIFLUOROMETHYL-SUBSTITUTED DIPHENYL ETHERS ROHM AND HAAS COMPANY (US) 1983-03-23 EP disclosed
US-4262152-A REACTION OF TRIFLUOROMETHYLHALOBENZENE WITH A BASE IN A COSOLVENT SYSTEM TO YIELD A TRIFLUOROMETHYL PHENOLATE ROHM AND HAAS COMPANY (US) 1981-04-14 US disclosed
US-4259510-A TREATING A TRIFLUOROMETHYLHALOBENZENE WITH A HYDROXIDE FOLLOWED BY ETHERIFICATION WITH A HALONITROBENZENE ROHM AND HAAS COMPANY 1981-03-31 US disclosed
EP-0019388-A1 Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and trifluoromethyl-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1980-11-26 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 MAPT 2177/4885ALDH1A1 3822/4885LMNA 3469/4885
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. SLC5A2, GCG, NCEH1 MAPT 4537/4885ALDH1A1 3812/4885LMNA 2750/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 MAPT 4606/4885ALDH1A1 788/4885LMNA 4420/4885

“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.