SCHEMBL3800769

SCHEMBL3800769

CCCCc1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HTR1A P08908 2/20 0.47
EPHX1 P07099 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
AHR P35869 3/20 0.44
NR4A2 P43354 2/20 0.44
CYP2A6 P11509 2/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RAD51 Q06609 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6629875 0.95 HDAC1 (0.57) HDAC1HDAC8HTR1AEPHX1CYP2D6
SCHEMBL564963 0.93 HDAC1 (0.56) HDAC1HDAC8HTR1AEPHX1CYP2D6
SCHEMBL3795198 0.89 HDAC1 (0.50) HDAC1HDAC8EPHX1CYP2D6SLC6A2
SCHEMBL3794968 0.86 BACE1 (0.50) HDAC1HDAC8HTR1ACYP2D6AHR
SCHEMBL20821161 0.85 HDAC1 (0.43) HDAC1HDAC8HTR1AEPHX1CYP2D6
SCHEMBL8666600 0.85 HDAC1 (0.55) HDAC1HDAC8AHRNR4A2CYP2A6
SCHEMBL5616730 0.83 EPHX1 (0.50) HDAC1HDAC8EPHX1GAANPC1
SCHEMBL8694824 0.82 HDAC1 (0.55) HDAC1HDAC8HTR1AAHRNR4A2
SCHEMBL14832829 0.82 HDAC1 (0.58) HDAC1HDAC8AHRNR4A2CYP2A6
SCHEMBL28239506 0.82 HDAC1 (0.55) HDAC1HDAC8AHRNR4A2CYP2A6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO claimed
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2020-09-15 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 EP disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 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 (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-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT HDAC1 2981/4885HDAC8 3804/4885HTR1A 172/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT HDAC1 3320/4885HDAC8 4128/4885HTR1A 116/4885
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 HDAC1 1692/4885HDAC8 2989/4885HTR1A 21/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 HDAC1 2494/4885HDAC8 3828/4885HTR1A 3704/4885

“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.