SCHEMBL713686

SCHEMBL713686

[c]1ccccc1-c1nnc(-c2ccc3ccccc3c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
CYP1A2 P05177 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RY1 P47900 1/20 0.38
SNCA P37840 1/20 0.38
GUSB P08236 2/20 0.37
DCTPP1 Q9H773 1/20 0.37
HSD17B1 P14061 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL714040 0.94 ESR1 (0.40) PTPN11CYP1A2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL711540 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HSD17B1KDM4ENPC1
SCHEMBL713687 0.80 PTPN11 (0.45) PTPN11CYP1A2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL948858 0.78 GSTP1 (0.45) CYP1A2SMN1; SMN2ALDH1A1CYP2C9HPGD
SCHEMBL713150 0.77 ENPP3 (0.41) PTPN11CYP1A2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL15826005 0.75 ESR1 (0.52) CYP1A2SMN1; SMN2ALDH1A1CYP2C9HPGD
SCHEMBL714041 0.75 ESR1 (0.44) PTPN11CYP1A2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL714489 0.75 RAB9A (0.53) SMN1; SMN2ALDH1A1HPGDNPSR1P2RY1
SCHEMBL9341550 0.74 PTPN11 (0.49) PTPN11CYP1A2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL21295939 0.73 ESR1 (0.39) CYP1A2SMN1; SMN2ALDH1A1CYP2C9HPGD

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 PTPN11 4655/4885CYP1A2 2141/4885SMN1; SMN2 4102/4885

“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.