SCHEMBL13739541

SCHEMBL13739541

CN1C(=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)Sc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MAOA P21397 1/20 0.49
▸ KMT2A Q03164 11/20 0.44
▸ MEN1 O00255 9/20 0.44
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ NOX1 Q9Y5S8 2/20 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
SCHEMBL9622698 0.78 ALDH1A1 (0.50) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL14865924 0.76 MAOA (0.74) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL14866102 0.76 MAOA (0.74) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL14020218 0.75 ALDH1A1 (0.56) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL13069488 0.74 MEN1 (0.60) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL14596635 0.74 SMN1; SMN2 (0.61) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL9134459 0.73 ALDH1A1 (0.65) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL9134679 0.72 MAOA (0.57) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL9134683 0.72 MAOA (0.57) ALDH1A1NPC1TP53RAB9ACYP1A2
SCHEMBL22701775 0.72 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090202920-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
US-20090202920-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
US-20090202921-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
US-20090202921-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
US-20070009831-A1 PLANOGRAPHIC PRINTING PLATE MATERIAL AND IMAGE FORMATION METHOD KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-11 — — US disclosed
US-20070009831-A1 PLANOGRAPHIC PRINTING PLATE MATERIAL AND IMAGE FORMATION METHOD KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-11 — — 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 (2 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-20090202921-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM CHRNA6, NR2E3, NR4A1 ALDH1A1 2608/4885NPC1 4165/4885TP53 4731/4885
US-20090202920-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM CHAT, HCN2, HCN1 ALDH1A1 2723/4885NPC1 2470/4885TP53 4532/4885

“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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