SCHEMBL3396702

SCHEMBL3396702

COc1ccc(F)cc1-c1nc(C)c(C(=O)N2CCC(N3CCCCC3)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42

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
SCHEMBL3400956 1.00 HTR2C (0.47) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3405124 0.92 NPC1 (0.45) HTR2CALDH1A1PKM
SCHEMBL3399875 0.91 HTR2C (0.48) HTR2CMEN1KMT2AL3MBTL1HRH3
SCHEMBL3401211 0.91 MEN1 (0.49) HTR2CALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3405416 0.91 HTR2C (0.48) HTR2CMEN1KMT2AL3MBTL1HRH3
SCHEMBL3405147 0.91 MEN1 (0.49) HTR2CALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3401600 0.89 HRH3 (0.48) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3405106 0.89 HRH3 (0.48) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3404916 0.89 L3MBTL1 (0.50) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL13072189 0.89 HTR2C (0.58) HTR2CKDM4EALDH1A1L3MBTL1HRH3

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.