SCHEMBL4309162

SCHEMBL4309162

COC(=O)CNc1nc(OC)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PLAU P00749 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
NNMT P40261 2/20 0.40
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL13912909 0.88 ZAP70 (0.38) MEN1KMT2APLAUTSHRLMNA
SCHEMBL2849201 0.78 MTNR1A (0.51) TSHRALDH1A1TDP1TXNRD1MTNR1A
SCHEMBL94186 0.78 TNF (0.43) KMT2ATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL29634740 0.78 TNF (0.43) KMT2ATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL4305170 0.77 TXNRD1 (0.56) LMNATXNRD1
SCHEMBL1415317 0.77 NNMT (0.34) NNMTPOLBTDP1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7591939 0.77 TNF (0.43) MEN1KMT2ATSHRSMN1; SMN2GAA
SCHEMBL12046243 0.76 APP (0.45) ALDH1A1MTNR1AMTNR1B
SCHEMBL6257710 0.76 PDE5A (0.37) SMN1; SMN2NNMTALDH1A1
SCHEMBL5833312 0.75 MTNR1A (0.37) NNMTALDH1A1MTNR1AMTNR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MEN1 984/4885KMT2A 2570/4885PLAU 2604/4885

“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.