SCHEMBL7940916

SCHEMBL7940916

CCNC(=N)NC(=N)Nc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL3056662 0.87 TDP1 (0.52) POLBTDP1NPC1SMN1; SMN2MAPT
SCHEMBL8960223 0.84 LMNA (0.44) POLBTDP1NPC1SMN1; SMN2ALDH1A1
SCHEMBL4212542 0.84 GAA (0.43) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL26626501 0.81 L3MBTL1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL1741676 0.81 L3MBTL1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL12520029 0.80 NPC1 (0.49) POLBNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12253600 0.79 POLB (0.46) POLBTDP1NPC1MAPTRAB9A
SCHEMBL678436 0.78 TDP1 (0.56) POLBTDP1NPC1SMN1; SMN2MAPT
SCHEMBL20315921 0.78 MEN1 (0.61) POLBTDP1NPC1ALDH1A1MAPT
SCHEMBL20315922 0.78 RAB9A (0.49) TDP1NPC1SMN1; SMN2ALDH1A1MAPT

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-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 US disclosed
WO-2001079410-A1 PROCESS OF CLEANING AND/OR DISINFECTING A HARD SURFACE WITH A COMPOSITION COMPRISING A BIGUANIDE ANTIMICROBIAL AGENT THE PROCTER & GAMBLE COMPANY (US) 2001-10-25 WO 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 (3 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-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans PAICS, KRTCAP2, OSTC POLB 1083/4885TDP1 3457/4885NPC1 1844/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 POLB 890/4885TDP1 2355/4885NPC1 657/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 POLB 1797/4885TDP1 4081/4885NPC1 4523/4885

“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.