SCHEMBL3473512

SCHEMBL3473512

O=c1[nH]cnc2cc3cc4cc5ccccc5c4cc3[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.45
PDPK1 O15530 1/20 0.45
CA12 O43570 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
ACVR1 Q04771 1/20 0.37
IP6K1 Q92551 4/20 0.36
IP6K3 Q96PC2 3/20 0.36
IP6K2 Q9UHH9 3/20 0.36
CHEK1 O14757 2/20 0.35
PIM1 P11309 2/20 0.35
ALDH1A1 P00352 2/20 0.35
AKT1 P31749 1/20 0.35
FLT3 P36888 1/20 0.35
PIM3 Q86V86 1/20 0.35
RPS6KA3 P51812 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL4144088 0.72 ALDH1A1 (0.50) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL3473510 0.71 CHEK1 (0.46) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL3472838 0.71 CHEK1 (0.48) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL3472148 0.69 CHEK1 (0.54) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL2921734 0.69 PARP1 (0.61) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL29744436 0.69 PARP1 (0.61) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL10637102 0.66 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL30726751 0.66 ALDH1A1 (0.50) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL162925 0.66 PARP1 (0.49) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL29434720 0.65 ALDH1A1 (0.48) PARP1PDPK1CA12ALOX15SMN1; 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 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 PARP1 3081/4885PDPK1 4356/4885CA12 1211/4885

“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.