SCHEMBL6892101

SCHEMBL6892101

COC(=O)C1(CN2C=CN(C(=O)OCc3ccccc3)CC2=O)CCN(C(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
CTSK P43235 4/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSL P07711 3/20 0.38
CTSS P25774 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CTSB P07858 2/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL6896015 0.84 TACR1 (0.40) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL28610374 0.74 SMN1; SMN2 (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL14547790 0.74 CACNA1G (0.45) KMT2AALDH1A1RAB9AMEN1NPC1
SCHEMBL6891073 0.73 STS (0.40) KMT2AMEN1HTT
SCHEMBL6891077 0.72 CYP2D6 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2CYP2D6
SCHEMBL5629529 0.71 SMN1; SMN2 (0.52) KMT2AALDH1A1RAB9AMEN1NPC1
SCHEMBL30203177 0.71 SMN1; SMN2 (0.51) KMT2AALDH1A1RAB9AMEN1NPC1
SCHEMBL1274614 0.71 SMN1; SMN2 (0.51) KMT2AALDH1A1RAB9AMEN1NPC1
SCHEMBL6897666 0.70 ITGB3 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2CYP2D6
SCHEMBL3981472 0.70 HTR2C (0.46) KMT2AALDH1A1RAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 KMT2A 1097/4885ALDH1A1 2304/4885RAB9A 3693/4885

“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.