SCHEMBL3748709

SCHEMBL3748709

CN(CCCN(C)c1nc2ccc(N)cc2s1)c1ccc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 7/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
NCF1 P14598 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.39
TMPRSS15 P98073 2/20 0.38
RAD52 P43351 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
PTBP1 P26599 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL4643602 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKDM4EGLAGAA
SCHEMBL3748595 0.80 LMNA (0.50) SMN1; SMN2MAPTKDM4EGLAGAA
Hydrochloric Acid SCHEMBL3746728 0.79 CYP1A2 (0.51) SMN1; SMN2MAPTKDM4EGLAGAA
SCHEMBL3752321 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKDM4EGLAGAA
SCHEMBL19326467 0.77 MAPT (0.51) SMN1; SMN2MAPTKDM4EGLAGAA
Hydrochloric Acid SCHEMBL3753726 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKDM4EGLAGAA
SCHEMBL23965817 0.74 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKDM4EGLAGAA
SCHEMBL3744447 0.74 LMNA (0.52) SMN1; SMN2MAPTKDM4EGLAGAA
SCHEMBL13054139 0.73 MAPT (0.50) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL5943623 0.72 NCF1 (0.58) MAPTGAAALDH1A1NCF1

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-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R SMN1; SMN2 2294/4885MAPT 1507/4885KDM4E 2042/4885

“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.