SCHEMBL3472838

SCHEMBL3472838

O=c1[nH]cnc2c1[nH]c1cc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PNP P00491 1/20 0.40
PARP1 P09874 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDPK1 O15530 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3473510 0.97 CHEK1 (0.46) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3472148 0.81 CHEK1 (0.54) CHEK1PARP1KDM4EALDH1A1HPGD
SCHEMBL38652511 0.76 PARP1 (0.50) CHEK1PNPPARP1KDM4EALDH1A1
SCHEMBL31322401 0.76 KDM4E (0.55) CHEK1PARP1KDM4EALDH1A1HPGD
SCHEMBL17396507 0.76 RXFP1 (0.55) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6826519 0.75 ALDH1A1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL6826816 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL31322412 0.72 PARP1 (0.54) PARP1KDM4EHSD17B10CDK4CCND1
SCHEMBL25619045 0.71 KDM4E (0.60) CHEK1KDM4EALDH1A1HPGDGAA
SCHEMBL3473512 0.71 PARP1 (0.45) CHEK1PARP1KDM4EALDH1A1HPGD

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-8193430-B2 Methods for separating carbon nanotubes THE UNIVERSITY OF CONNECTICUT (US) 2012-06-05 US disclosed
US-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES UNIVERSITY OF CONNECTICUT (US) 2010-02-25 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-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES FSCN1, TTPA, FLNB CHEK1 2918/4885GRIN2D 3798/4885GRIN3B 4342/4885

“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.