SCHEMBL5306398

SCHEMBL5306398

Cc1c([N+](=O)[O-])ccc2nc(N(C)CCN(C)C)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL3743863 0.73 SMN1; SMN2 (0.57) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL3750501 0.73 ALDH1A1 (0.72) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL3748576 0.73 MAPT (0.48) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL4743474 0.69 MAPT (0.44) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL27566824 0.68 KMT2A (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6068173 0.67 RAB9A (0.53) ALDH1A1MEN1KMT2APOLBKDM4E
Dimethylamine SCHEMBL3754638 0.66 MAPT (0.41) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL27697763 0.65 MAPT (0.40) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL7242715 0.64 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16003231 0.64 MAPT (0.66) ALDH1A1MAPTHPGDMEN1KMT2A

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 7 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-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
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 1529/4885MAPT 1507/4885HPGD 3673/4885

“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.