SCHEMBL711540

SCHEMBL711540

[c]1ccccc1-c1nnc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HSD17B1 P14061 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 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
SCHEMBL714489 0.82 RAB9A (0.53) ALDH1A1POLBNPC1RAB9AS1PR1
SCHEMBL714040 0.81 ESR1 (0.40) ALDH1A1CA1CA2HSD17B1NPC1
SCHEMBL713686 0.80 PTPN11 (0.42) ALDH1A1HSD17B1NPC1RAB9AKDM4E
SCHEMBL9018567 0.79 ALDH1A1 (0.61) ALDH1A1POLBCA1CA2CA4
SCHEMBL713150 0.79 ENPP3 (0.41) ALDH1A1CA1CA2NPC1RAB9A
SCHEMBL28825366 0.78 KDM4E (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2213286 0.77 ALDH1A1 (0.59) ALDH1A1POLBCA1CA2CA4
SCHEMBL711541 0.76 ALDH1A1 (0.50) ALDH1A1POLBCA1CA2CA4
SCHEMBL17948201 0.75 ALDH1A1 (0.57) ALDH1A1POLBCA1CA2CA4
SCHEMBL9956781 0.73 CYP1A2 (0.49) ALDH1A1MEN1KMT2AKDM4ESMN1; 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-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 ALDH1A1 1391/4885POLB 1588/4885CA1 3117/4885

“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.