SCHEMBL10069208

SCHEMBL10069208

CC(C)C[n+]1c(/C=C/c2ccc(-n3ccnc3)cc2)cccc1/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.46
▸ PDE3B Q13370 3/20 0.42
▸ PDE3A Q14432 3/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP17A1 P05093 2/20 0.41
▸ CYP21A2 P08686 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL10069211 0.86 MAOB (0.51) MAOBPDE3BPDE3AESR1CYP3A4
SCHEMBL10069295 0.84 INSR (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13822181 0.82 PDE3B (0.49) MAOBPDE3BPDE3AESR1CYP3A4
SCHEMBL13127033 0.81 MAOB (0.43) MAOBPDE3BPDE3AESR1CYP3A4
SCHEMBL13126885 0.76 ALOX5 (0.42) MEN1KMT2AMAPTALOX15KDM4E
SCHEMBL10069299 0.74 NFE2L2 (0.41) CYP3A4MEN1KMT2AMAPTKDM4E
SCHEMBL8392726 0.74 CYP3A4 (0.69) MAOBPDE3BPDE3AESR1CYP3A4
SCHEMBL2604923 0.74 CYP3A4 (0.69) MAOBPDE3BPDE3AESR1CYP3A4
SCHEMBL13126892 0.73 RAB9A (0.37) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10069303 0.73 NFE2L2 (0.42) MAOBMEN1KMT2AMAPTKDM4E

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-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 — — US disclosed
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 — — US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — 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 (2 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 MAOB 102/4885PDE3B 1136/4885PDE3A 909/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT MAOB 284/4885PDE3B 1103/4885PDE3A 1192/4885

“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