SCHEMBL12648461

SCHEMBL12648461

CN(C)CCCCSC(=N)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 1.00
ALDH1A1 P00352 3/20 0.96
HRH4 Q9H3N8 5/20 0.88
CYP1A2 P05177 5/20 0.88
TDP1 Q9NUW8 4/20 0.88
HRH2 P25021 1/20 0.88
NOS1 P29475 6/20 0.56
NOS3 P29474 4/20 0.56
NOS2 P35228 4/20 0.56
CYP2C19 P33261 3/20 0.52
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.41
BLM P54132 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
Hydrochloric Acid SCHEMBL7367775 0.98 ALDH1A1 (1.00) HSD17B10ALDH1A1HRH4CYP1A2TDP1
Dimaprit SCHEMBL379810 0.93 HRH4 (1.00) HSD17B10ALDH1A1HRH4CYP1A2TDP1
Dimaprit SCHEMBL7173650 0.91 HRH4 (1.00) HSD17B10ALDH1A1HRH4CYP1A2TDP1
Dimaprit SCHEMBL7174665 0.91 HRH4 (0.96) HSD17B10ALDH1A1HRH4CYP1A2TDP1
Dimaprit SCHEMBL30836911 0.91 HRH4 (0.96) HSD17B10ALDH1A1HRH4CYP1A2TDP1
SCHEMBL7216548 0.84
Hydrochloric Acid SCHEMBL3588464 0.82 ALDH1A1 (0.73) HSD17B10ALDH1A1HRH4CYP1A2TDP1
SCHEMBL9193111 0.78 CYP1A2 (0.71) HSD17B10ALDH1A1HRH4CYP1A2TDP1
SCHEMBL6216529 0.75
Hydrochloric Acid SCHEMBL7176136 0.74 HRH4 (0.66) HSD17B10ALDH1A1HRH4CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704971-A1 GAMMA STIMULATION AND NEUROMODULATOR COMBINATION THERAPY Cognito Therapeutics, Inc. (US) 2026-03-11 EP claimed
WO-2024229174-A1 GAMMA STIMULATION AND NEUROMODULATOR COMBINATION THERAPY Cognito Therapeutics, Inc. (US) 2024-11-07 WO claimed
EP-4704971-A1 GAMMA STIMULATION AND NEUROMODULATOR COMBINATION THERAPY Cognito Therapeutics, Inc. (US) 2026-03-11 EP disclosed
WO-2024229174-A1 GAMMA STIMULATION AND NEUROMODULATOR COMBINATION THERAPY Cognito Therapeutics, Inc. (US) 2024-11-07 WO disclosed
US-20230201246-A1 METAL COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS 2023-06-29 US disclosed
US-20230201246-A1 METAL COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS 2023-06-29 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20230201246-A1 METAL COMPOSITIONS AND METHODS OF USE THEREOF SOD1, SOD3, SLC30A5 HSD17B10 4636/4885ALDH1A1 4374/4885HRH4 1770/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS HSD17B10 4450/4885ALDH1A1 4360/4885HRH4 4303/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS HSD17B10 2950/4885ALDH1A1 4064/4885HRH4 4411/4885

“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.