SCHEMBL13127033

SCHEMBL13127033

FC(F)(F)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 0.43
▸ PDE3B Q13370 3/20 0.42
▸ PDE3A Q14432 3/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP21A2 P08686 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL10069275 0.84 INSR (0.37) KDM4E
SCHEMBL10069211 0.84 MAOB (0.51) MAOBPDE3BPDE3ACYP3A4CYP17A1
SCHEMBL10069208 0.81 MAOB (0.46) MAOBPDE3BPDE3ACYP3A4CYP17A1
SCHEMBL13822181 0.79 PDE3B (0.49) MAOBPDE3BPDE3ACYP3A4CYP17A1
SCHEMBL10069911 0.74 MAPT (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL13127035 0.74 ALOX5 (0.39) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL14139762 0.74 AHR (0.45) CYP1A2
SCHEMBL8392726 0.74 CYP3A4 (0.69) MAOBPDE3BPDE3ACYP3A4CYP17A1
SCHEMBL2604923 0.74 CYP3A4 (0.69) MAOBPDE3BPDE3ACYP3A4CYP17A1
SCHEMBL10069274 0.73 NFE2L2 (0.51) MEN1KMT2AKDM4ESMN1; SMN2

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 6 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-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 — — EP 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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 MAOB 150/4885PDE3B 1344/4885PDE3A 1162/4885

“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.

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