SCHEMBL1611151

SCHEMBL1611151

CC[CH]c1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
ACHE P22303 4/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
RELA Q04206 1/20 0.46
FBP1 P09467 1/20 0.46
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 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
SCHEMBL3106109 0.86 TP53 (0.54) TP53TDP1NPC1CASP3SENP8
SCHEMBL2187122 0.85 ALDH1A1 (0.37) TP53TDP1NPC1CASP3SENP8
SCHEMBL1609607 0.83 TP53 (0.50) TP53TDP1NPC1CASP3SENP8
Propionaldehyde SCHEMBL11056597 0.83 MAOA (0.53) TP53TDP1NPC1CASP3SENP8
SCHEMBL27258520 0.82 TP53 (0.54) TP53TDP1NPC1CASP3SENP8
SCHEMBL1610032 0.81 TP53 (0.48) TP53TDP1NPC1CASP3SENP8
SCHEMBL8442071 0.80 TP53 (0.52) TP53TDP1NPC1CASP3SENP8
SCHEMBL19227545 0.80 TP53 (0.52) TP53TDP1NPC1CASP3SENP8
SCHEMBL16965794 0.80 TP53 (0.52) TP53TDP1NPC1CASP3SENP8
SCHEMBL8442069 0.80 TP53 (0.52) TP53TDP1NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4648898-A DIAMINO-DIFLUOROMETHYLTHIOTRIAZINES SHIONOGI & CO., LTD. (JP) 1987-03-10 US claimed
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 US disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed
CN-108026067-B 6-amino-quinoline-3-carbonitriles as COT modulators 吉利德科学公司 2021-01-12 CN disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-5719257-A OBTAINED BY ANIONIC POLYMERIZATION OF DERIVATIVES OF 2,2,6,6-TETRAMETHYL-4-/2,3-EPOXYPROPOXY/PIPERIDINE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-02-17 US disclosed
US-5616637-A PHOTOSTABILITY; OXIDTION AND HEAT RESISTANT CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
US-5521282-A FROM 4-/2,3-EPOXYPROPOXY/-2,2,6,6-TETRAMETHYLPIPERIDINE CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
CN-1113232-A Dithiocarbonimide derivative, fungicidal/insecticidal/acaricidal agent containing said derivative as active ingredient, intermediate for use in producing said derivative from said intermediate SUMITOMO CHEMICAL CO (JP) 1995-12-13 CN disclosed
EP-0634449-A2 Polyether with sterically hindered amine side chains as stabilizing agents CIBA-GEIGY AG (CH) 1995-01-18 EP disclosed
EP-0171708-B1 TRIAZINE DERIVATIVES AND HERBICIDES SHIONOGI & CO., LTD. (JP) 1988-10-12 EP disclosed
US-4648898-A DIAMINO-DIFLUOROMETHYLTHIOTRIAZINES SHIONOGI & CO., LTD. (JP) 1987-03-10 US disclosed
EP-0171708-A1 Triazine derivatives and herbicides SHIONOGI & CO., LTD. (JP) 1986-02-19 EP disclosed
US-4034105-A Nematocidal N-cyanoformyl carbamates and N-cyanoformyl thiolcarbamates CHEVRON RESEARCH COMPANY (US) 1977-07-05 US disclosed
US-3956364-A NAMATOCIDE CHEVRON RESEARCH COMPANY (US) 1976-05-11 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR TP53 3955/4885TDP1 2264/4885NPC1 3858/4885
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 TP53 3651/4885TDP1 4283/4885NPC1 564/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TP53 4315/4885TDP1 3467/4885NPC1 3627/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C TP53 2809/4885TDP1 2789/4885NPC1 4649/4885

“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.