Sugi Predict

Sugi Predict / Compounds / SCHEMBL3864153

SCHEMBL3864153

SCHEMBL3864153

COC(=O)c1cc(-c2cc(C)cs2)n(-c2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RXRA P19793 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MARS1 P56192 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL3876521 0.84 SMN1; SMN2 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3865568 0.84 MARS1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3866697 0.81 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ARXRANR1H2
SCHEMBL3865153 0.78 PTGS2 (0.56) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3863677 0.78 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2
SCHEMBL3873187 0.78 SMPD1 (0.51) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3863718 0.78 RPA1 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28110540 0.76 POLB (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3870918 0.75 PTGS2 (0.44) ALDH1A1LMNARXRANR1H2NR1H3
SCHEMBL3870130 0.75 KDM1A (0.43) SMN1; SMN2TP53

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-20090005350-A1 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-01-01 — — US disclosed
US-7442802-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2008-10-28 — — US disclosed
US-20060194861-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2006-08-31 — — US disclosed
US-7087630-B2 Cyclooxygenase 2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2006-08-08 — — US disclosed
US-20040053985-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-03-18 — — 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 (3 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-20040053985-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 ALDH1A1 638/4885KDM4E 3402/4885MAPT 3970/4885
US-20060194861-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 ALDH1A1 638/4885KDM4E 3402/4885MAPT 3970/4885
US-20090005350-A1 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTGS2, PTGIS, PTGES2 ALDH1A1 638/4885KDM4E 3402/4885MAPT 3970/4885

“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.