SCHEMBL144441

SCHEMBL144441

Cc1ccc2sc(C)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.57
CYP1A2 P05177 4/20 0.48
TDP1 Q9NUW8 2/20 0.41
AKR1B1 P15121 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FBP1 P09467 1/20 0.36
DYRK1A Q13627 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL14282441 0.85 ESR1 (0.45) CYP2A6CYP1A2MAPTTP53SMN1; SMN2
SCHEMBL17795981 0.83 CYP2A6 (0.52) CYP2A6CYP1A2TDP1MAPTRAB9A
SCHEMBL422041 0.81 HDAC3 (0.52) CYP2A6CYP1A2TDP1MAPTRAB9A
SCHEMBL12430648 0.81 CYP2A6 (0.57) CYP2A6CYP1A2TDP1AKR1B1MAPT
SCHEMBL6248129 0.80 CYP2A6 (0.63) CYP2A6CYP1A2TDP1MAPTSMN1; SMN2
SCHEMBL144549 0.77 CYP2A6 (0.42) CYP2A6CYP1A2SMN1; SMN2ALDH1A1CHRNA7
SCHEMBL9389492 0.77 SMN1; SMN2 (0.46) CYP2A6TDP1MAPTRAB9ATP53
SCHEMBL12323 0.77 BACE1 (0.58) CYP2A6CYP1A2TDP1AKR1B1MAPT
SCHEMBL12430 0.77 TUBB4A (0.42) CYP2A6CYP1A2TDP1MAPTRAB9A
SCHEMBL16023601 0.77 CYP2A6 (0.53) CYP2A6CYP1A2TDP1AKR1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
WO-2023238764-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT 住友化学株式会社 2023-12-14 WO disclosed
US-20230363184-A1 PHOTOELECTRIC CONVERSION ELEMENT AND METHOD FOR MANUFACTURING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-11-09 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-5629465-A BENZOTHIOPHENE ANALYSIS OCCIDENTAL CHEMICAL CORPORATION (US) 1997-05-13 US disclosed
US-4178450-A ANALGESICS Laboratories Made, S. A. (ES) 1979-12-11 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 (1 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-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CYP2A6 405/4885CYP1A2 885/4885TDP1 3909/4885

“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.