SCHEMBL1654642

SCHEMBL1654642

CC(C)(CN)SCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
PRMT1 Q99873 1/20 1.00
POLB P06746 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
SLC6A2 P23975 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
IDO1 P14902 3/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
RAB9A P51151 2/20 0.40
SLC6A4 P31645 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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 SCHEMBL6899318 0.98 CYP1A2 (0.96) CYP1A2CYP3A4CYP2D6PRMT1POLB
SCHEMBL12879664 0.81 CYP2D6 (0.68) CYP1A2CYP3A4CYP2D6PRMT1POLB
SCHEMBL11188983 0.79 CYP2D6 (0.66) CYP1A2CYP3A4CYP2D6PRMT1POLB
SCHEMBL5680420 0.78 CYP2D6 (0.63) CYP1A2CYP3A4CYP2D6PRMT1POLB
SCHEMBL6578267 0.77 CYP3A4 (0.62) CYP1A2CYP3A4CYP2D6PRMT1TAAR1
Carbocysteine SCHEMBL11552772 0.77 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL18272090 0.76 CYP2D6 (0.61) CYP1A2CYP3A4CYP2D6PRMT1POLB
SCHEMBL7796812 0.76 CYP2D6 (0.61) CYP1A2CYP3A4CYP2D6PRMT1POLB
SCHEMBL5193497 0.76 CYP3A4 (0.61) CYP1A2CYP3A4CYP2D6PRMT1TAAR1
SCHEMBL6431176 0.75 CYP3A4 (0.59) CYP1A2CYP3A4CYP2D6PRMT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US claimed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US claimed
US-20230404947-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-12-21 US disclosed
US-20230338310-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2023-10-26 US disclosed
US-11771665-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-10-03 US disclosed
EP-4157247-A1 ANTI-VIRAL THERAPY Novabiotics Limited (GB) 2023-04-05 EP disclosed
US-20220347126-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2022-11-03 US disclosed
US-11406607-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2022-08-09 US disclosed
US-11369568-B2 Microparticles comprising a sulphur-containing compound NOVABIOTICS LIMITED (GB) 2022-06-28 US disclosed
WO-2021240145-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2021-12-02 WO disclosed
WO-2021203136-A1 METHODS FOR TREATING HYPERPIGMENTATION AND COMPOSITIONS FOR SAME CHEMISTRYRX (US) 2021-10-07 WO disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP disclosed
US-7297820-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-11-20 US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 US disclosed
US-5312904-A Body imaging agents AMERSHAM INTERNATIONAL PLC (GB) 1994-05-17 US disclosed
EP-0386873-B1 CATIONIC COMPLEXES OF TECHNETIUM 99M, AND LIGANDS THEREFOR AMERSHAM INTERNATIONAL plc (GB) 1993-09-15 EP disclosed
EP-0386873-A1 Cationic complexes of technetium 99m, and ligands therefor AMERSHAM INTERNATIONAL plc (GB) 1990-09-12 EP disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 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 (2 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-20230338310-A1 ANTI-VIRAL THERAPY MAVS, HAVCR2, IRF3 CYP1A2 4058/4885CYP3A4 3476/4885CYP2D6 4331/4885
US-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 CYP1A2 730/4885CYP3A4 336/4885CYP2D6 260/4885

“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.