SCHEMBL13042861

SCHEMBL13042861

Cc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.50
▸ RAB9A P51151 8/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 5/20 0.46
▸ HTT P42858 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SYK P43405 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39

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
SCHEMBL13042726 0.99 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL13042960 0.99 ALDH1A1 (0.49) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL13042817 0.97 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL13043016 0.97 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL3738165 0.89 HDAC1 (0.51) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL3748961 0.88 HDAC1 (0.53) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL13042952 0.88 HDAC1 (0.52) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL10354051 0.87 PDE10A (0.49) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL13043014 0.86 HDAC1 (0.54) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL13042818 0.86 HDAC1 (0.54) NPC1RAB9AALDH1A1KDM4ELMNA

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 NPC1 4031/4885RAB9A 779/4885ALDH1A1 348/4885

“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.

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