SCHEMBL6896030

SCHEMBL6896030

COC(CNCc1ccc(-n2ccnc2)cc1)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.56
ADRB2 P07550 3/20 0.56
ADRB3 P13945 3/20 0.56
HTT P42858 1/20 0.51
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP19A1 P11511 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ENPP2 Q13822 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NOTUM Q6P988 1/20 0.43
TBXAS1 P24557 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPK8 P45983 1/20 0.42

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
SCHEMBL13614092 0.85 ADRB1 (0.57) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL16781355 0.79 LMNA (0.53) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL2513928 0.77 HTT (0.57) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL13614231 0.77 CYP3A4 (0.52) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL1311776 0.76 LMNA (0.53) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL13428831 0.76 LMNA (0.49) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL25425980 0.74 CYP11B1 (0.53) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL20852025 0.74 CYP3A4 (0.50) ADRB1ADRB2ADRB3HTTCYP3A4
SCHEMBL255498 0.74 MAOB (0.62) HTTCYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL27522277 0.74 HTT (0.49) ADRB1ADRB2ADRB3HTTCYP3A4

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-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
CN-1290254-A Sulfonamide derivatives process for producing the same and utilization thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-04 CN 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 ADRB1 3233/4885ADRB2 3136/4885ADRB3 4212/4885

“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.