SCHEMBL3404869

SCHEMBL3404869

Cc1nc(-c2ccccc2)sc1C(=O)N1CCCN(C(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.65
HTR2C P28335 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CHRM1 P11229 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3401781 0.95 CNR1 (0.70) CNR1HTR2CSMN1; SMN2ALDH1A1HPGD
SCHEMBL3405399 0.86 CNR1 (0.57) CNR1HTR2CSMN1; SMN2ALDH1A1MAPT
SCHEMBL3399775 0.86 CNR1 (0.58) CNR1HTR2CSMN1; SMN2ALDH1A1HPGD
SCHEMBL12789540 0.86 CNR1 (0.77) CNR1HTR2CSMN1; SMN2ALDH1A1HPGD
SCHEMBL3401932 0.85 KDM4E (0.55) CNR1HTR2CALDH1A1HPGDMAPT
SCHEMBL3399805 0.84 CNR1 (0.56) CNR1HTR2CSMN1; SMN2ALDH1A1HPGD
SCHEMBL13071983 0.84 HTR2C (0.77) CNR1HTR2CPARP1
SCHEMBL3405550 0.84 CNR1 (0.55) CNR1HTR2CSMN1; SMN2ALDH1A1MAPT
SCHEMBL3399685 0.84 CNR1 (0.55) CNR1HTR2CSMN1; SMN2MAPTGAA
SCHEMBL3400865 0.83 CNR1 (0.55) CNR1HTR2CSMN1; SMN2ALDH1A1HPGD

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 CNR1 35/4885HTR2C 416/4885SMN1; SMN2 1605/4885

“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.