SCHEMBL2748237

SCHEMBL2748237

CCCCc1ccc(NC(C)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
HPGD P15428 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 1/20 0.62
TRPV1 Q8NER1 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
THRA P10827 3/20 0.58
THRB P10828 3/20 0.58
MEN1 O00255 1/20 0.56
CASP3 P42574 1/20 0.56
KMT2A Q03164 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
F13A1 P00488 1/20 0.56

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
SCHEMBL5546226 0.95 POLB (0.66) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11297385 0.93 THRA (0.68) POLBCA12CA1CA2CA9
SCHEMBL3027338 0.93 THRA (0.68) POLBCA12CA1CA2CA9
SCHEMBL6746649 0.93 THRA (0.68) POLBCA12CA1CA2CA9
SCHEMBL18405961 0.91 POLB (0.61) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1902060 0.90 SMN1; SMN2 (0.59) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11116153 0.90 SMN1; SMN2 (0.59) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7211903 0.89 AOC3 (0.61) POLBRAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL2019464 0.87 POLB (0.70) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL15094124 0.87 CA12 (0.74) POLBNPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023065014-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2023-04-27 WO disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
CN-112574054-A Efficient nitriding reagent and application thereof 北京大学 2021-03-30 CN disclosed
EP-2766474-B1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDRENS MEDICAL CENTER (US) 2020-10-07 EP disclosed
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
CN-105541740-A 5-n-butyl-1H-benzotriazole synthesis process ZHAO JIANYING 2016-05-04 CN disclosed
EP-0650955-A1 Amine compound and electro-luminescence device comprising same HODOGAYA CHEMICAL CO., LTD. (JP) 1995-05-03 EP disclosed
EP-0622359-A1 Quinoxaline compound, liquid crystal composition containing the compound, liquid crystal device using the composition, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1994-11-02 EP disclosed
EP-0010231-B1 POLYPHOSPHAZENE POLYMERS CONTAINING N-SUBSTITUTED AMIDO AND IMIDO SUBSTITUENTS AND PROCESS FOR THEIR PREPARATION THE FIRESTONE TIRE & RUBBER COMPANY (US) 1982-12-15 EP disclosed
EP-0039367-A4 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM. MINNESOTA MINING & MFG (US) 1982-07-12 EP disclosed
US-4323633-A BUTYLATED 2-HYDROXYPHENYL BENZOTRIAZOLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-04-06 US disclosed
EP-0039367-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-11 EP disclosed
WO-1981001473-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING & MFG (US) 1981-05-28 WO disclosed
US-4218557-A PROTECTIVE COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-08-19 US disclosed
EP-0010231-A1 Polyphosphazene polymers containing N-substituted amido and imido substituents and process for their preparation THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-04-30 EP disclosed
US-4060491-A 5-ALKYL BENZOTRIAZOLE MOBIL OIL CORPORATION (US) 1977-11-29 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 (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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 POLB 1881/4885NPC1 2573/4885RAB9A 2070/4885
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 POLB 356/4885NPC1 927/4885RAB9A 1957/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 POLB 4812/4885NPC1 2415/4885RAB9A 3461/4885

“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.