SCHEMBL13042873

SCHEMBL13042873

Cc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.48
PTGER4 P35408 1/20 0.42
MCHR1 Q99705 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.40
MGLL Q99685 2/20 0.40
DCTPP1 Q9H773 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 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
SCHEMBL13042713 0.99 ALDH1A1 (0.54) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL13042961 0.99 ALDH1A1 (0.57) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL13042816 0.97 ALDH1A1 (0.56) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL18999424 0.95 ALDH1A1 (0.53) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL19310491 0.95 ALDH1A1 (0.58) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL14499576 0.93 ALDH1A1 (0.59) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL24813338 0.91 ALDH1A1 (0.52) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL14499575 0.91 ALDH1A1 (0.57) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL14499574 0.90 ALDH1A1 (0.58) ALDH1A1HTTMAPK1HSD17B10SMN1; SMN2
SCHEMBL12354568 0.89 ALDH1A1 (0.50) ALDH1A1HTTMAPK1HSD17B10SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 US disclosed
US-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 US disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 US disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 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-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same RPS3A, NCOA3, HNRNPA0 ALDH1A1 348/4885HTT 1171/4885MAPK1 1144/4885

“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.