Sugi Predict

Sugi Predict / Compounds / SCHEMBL13889178

SCHEMBL13889178

SCHEMBL13889178

COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 9/20 1.00
▸ KMT2A Q03164 6/20 1.00
▸ POLB P06746 3/20 1.00
▸ RAD52 P43351 3/20 1.00
▸ GFER P55789 1/20 1.00
▸ MAPT P10636 4/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ OPRM1 P35372 1/20 0.70
▸ OPRD1 P41143 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ SLC2A1 P11166 1/20 0.68
▸ MEN1 O00255 4/20 0.65
▸ RAB9A P51151 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ LMNA P02545 3/20 0.62

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
SCHEMBL10000193 0.86 KDM1A (0.76) KDM1AKMT2APOLBRAD52GFER
SCHEMBL27212831 0.83 KMT2A (1.00) KDM1AKMT2APOLBRAD52GFER
SCHEMBL27417079 0.83 KMT2A (0.70) KDM1AKMT2APOLBRAD52GFER
SCHEMBL902770 0.82 KDM1A (1.00) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594389 0.82 KDM1A (0.69) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594504 0.82 KDM1A (0.69) KDM1AKMT2APOLBRAD52GFER
SCHEMBL28528794 0.81 KMT2A (0.69) KDM1AKMT2APOLBRAD52GFER
SCHEMBL15673568 0.81 KDM1A (1.00) KDM1AKMT2APOLBRAD52GFER
SCHEMBL31238359 0.81 KDM1A (0.74) KDM1AKMT2APOLBRAD52GFER
Hydrochloric Acid SCHEMBL15673452 0.80 KDM1A (0.96) KDM1AKMT2APOLBRAD52GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2730918-B1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDI MASS SPECTROMETRY METHOD UNIV KYUSHU NAT UNIV CORP (JP) 2016-09-14 — — EP disclosed
EP-2730918-B1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDI MASS SPECTROMETRY METHOD UNIV KYUSHU NAT UNIV CORP (JP) 2016-09-14 — — EP disclosed
US-20140151548-A1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDIMASS SPECTROMETRY METHOD KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-06-05 — — US disclosed
US-20140151548-A1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDIMASS SPECTROMETRY METHOD KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-06-05 — — US disclosed
US-20140151548-A1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDIMASS SPECTROMETRY METHOD KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-06-05 — — US disclosed
EP-2730918-A1 MATRIX FOR MALDI MASS SPECTROMETRY Kyushu University National University Corporation (JP) 2014-05-14 — — EP disclosed
EP-2730918-A1 MATRIX FOR MALDI MASS SPECTROMETRY Kyushu University National University Corporation (JP) 2014-05-14 — — EP disclosed
US-20090099191-A1 INHIBITION OF NF-KB CLEVELAND CLINIC 2009-04-16 — — 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-20090099191-A1 INHIBITION OF NF-KB NFKBIA, NFKB2, NFKB1 KDM1A 3923/4885KMT2A 3868/4885POLB 119/4885

“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.