SCHEMBL3404766

SCHEMBL3404766

CCCCN1CCCN(C(=O)c2sc(-c3cc(Cl)ccc3OC)nc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CES2 O00748 1/20 0.41
DRD2 P14416 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SLC29A1 Q99808 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38

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
SCHEMBL3403442 0.91 HTR2C (0.43) HTR2CKDM4EALDH1A1KMT2ANPC1
SCHEMBL13310335 0.91 HTR2C (0.43) HTR2CKDM4EALDH1A1HPGDTSHR
SCHEMBL3406091 0.90 HTR2C (0.42) HTR2CKDM4EALDH1A1LMNACES2
SCHEMBL3402587 0.90 HTR2C (0.45) HTR2CKDM4EALDH1A1LMNATSHR
SCHEMBL3405156 0.88 HTR2C (0.41) HTR2CALDH1A1LMNAKMT2ACES2
SCHEMBL3399933 0.88 KDM4E (0.46) HTR2CKDM4EALDH1A1KMT2ANPC1
SCHEMBL3401440 0.88 HTR2C (0.45) HTR2CKDM4EALDH1A1LMNAKMT2A
SCHEMBL3402191 0.88 TP53 (0.45) HTR2CKDM4EALDH1A1LMNAHPGD
SCHEMBL3402512 0.86 HTR2C (0.43) HTR2CKDM4EALDH1A1KMT2ACES2
SCHEMBL3398386 0.84 THRA (0.43) HTR2CLMNAKMT2ACES2SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885KDM4E 3449/4885ALDH1A1 916/4885

“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.