SCHEMBL3405796

SCHEMBL3405796

CCN(CC)CCCNC(=O)c1sc(-c2ccc3cc(OC)ccc3c2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GLA P06280 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 8/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TP53 P04637 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 2/20 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
SCHEMBL3400463 0.91 PPARA (0.54) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL3405160 0.81 HTR2C (0.45) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3401183 0.80 MAPT (0.49) ALDH1A1KDM4EGAAHSD17B10PPARA
SCHEMBL3396720 0.80 MAPT (0.56) HPGDGAAKMT2AMEN1PPARA
SCHEMBL3398394 0.78 KDM4E (0.54) ALDH1A1KDM4EHSD17B10PPARAMAPT
SCHEMBL3403000 0.78 NPC1 (0.50) HPGDGAAKMT2AMEN1PPARA
SCHEMBL3399700 0.78 KDM4E (0.56) ALDH1A1KDM4EHSD17B10PPARAMAPT
SCHEMBL3399977 0.78 TSHR (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL25828182 0.77 XDH (0.67) ALDH1A1
SCHEMBL3400236 0.76 CYP1A2 (0.54) KDM4EHSD17B10TSHRPPARANPC1

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 ALDH1A1 916/4885HPGD 1057/4885KDM4E 3449/4885

“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.

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