SCHEMBL13126938

SCHEMBL13126938

C(=C/c1cccc(/C=C/c2ccc(-n3ccnc3)cc2)n1)\c1ccc(-n2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ PDE3B Q13370 3/20 0.50
▸ PDE3A Q14432 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP11B1 P15538 2/20 0.49
▸ CYP17A1 P05093 1/20 0.49
▸ CYP21A2 P08686 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ENPP2 Q13822 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ MAOB P27338 3/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ CYP51A1 Q16850 1/20 0.45

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
SCHEMBL8392726 0.83 CYP3A4 (0.69) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL2604923 0.83 CYP3A4 (0.69) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL13822181 0.78 PDE3B (0.49) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL6847884 0.77 MAPT (0.55) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL7295758 0.77 MAPT (0.55) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL2532397 0.75 LMNA (0.78) CYP3A4MEN1ALOX15TSHRKMT2A
SCHEMBL11017607 0.75 PDE3B (0.60) PDE3BPDE3ACYP11B1CYP17A1CYP21A2
SCHEMBL10069211 0.75 MAOB (0.51) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL11017610 0.75 PDE3B (0.60) PDE3BPDE3ACYP11B1CYP17A1CYP21A2
SCHEMBL8288350 0.74 MAPT (0.60) CYP3A4PDE3BPDE3AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — 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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP CYP3A4 822/4885PDE3B 1136/4885PDE3A 909/4885

“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.

Send feedback