SCHEMBL3748706

SCHEMBL3748706

CN(CCCN(C)c1nc2c(C(N)=O)c[c]cc2s1)c1ccc2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
NCF1 P14598 1/20 0.34
MAPT P10636 4/20 0.34
THRB P10828 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PAX8 Q06710 1/20 0.33
TMPRSS15 P98073 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
IKBKB O14920 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL4643599 0.83 MAPT (0.37) ALDH1A1KDM4EMITFHPGDMAPT
SCHEMBL3748594 0.81 PIM1 (0.35) ALDH1A1KDM4EMAPTTHRBKMT2A
SCHEMBL3752317 0.79 HTR2C (0.39) ALDH1A1KDM4EMAPTTHRBKMT2A
SCHEMBL3744443 0.76 THRB (0.35) THRBKMT2AMAPK1LMNA
SCHEMBL3753729 0.73 LMNA (0.36) MAPK1LMNA
SCHEMBL3759067 0.72 LMNA (0.38) MAPK1LMNA
SCHEMBL3750058 0.72 PARP14 (0.34) ALDH1A1KDM4EMAPTNPSR1HTT
SCHEMBL3748709 0.71 SMN1; SMN2 (0.41) ALDH1A1KDM4EHPGDNCF1MAPT
SCHEMBL3756206 0.67 PARP1 (0.36)
SCHEMBL3749075 0.67 PARP1 (0.34)

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 ALDH1A1 1529/4885KDM4E 2042/4885MITF 82/4885

“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.