SCHEMBL814039

SCHEMBL814039

NCCN(CCN)Cc1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
LIN28A Q9H9Z2 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
HRH1 P35367 2/20 0.57
CXCR4 P61073 3/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KCNA5 P22460 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL57060 0.96 MAPT (0.78) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL29407086 0.96 MAPT (0.78) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL17119746 0.93 TDP1 (0.62) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL8508012 0.92 SMN1; SMN2 (0.61) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL28051459 0.90 TDP1 (0.59) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL11471516 0.90 TDP1 (0.62) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL29444010 0.89 MAPT (0.67) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL5362066 0.86 SMN1; SMN2 (0.54) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL8527380 0.85 MAPT (0.72) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL8507962 0.84 SMN1; SMN2 (0.56) MAPTSMN1; SMN2LIN28ATDP1HRH1

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-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX MAPT 1902/4885SMN1; SMN2 1110/4885LIN28A 344/4885

“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.