SCHEMBL520125

SCHEMBL520125

CC(C)C(=O)Nc1cccc(N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
DDX3X O00571 2/20 0.65
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
F2R P25116 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 2/20 0.51
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MTNR1B P49286 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL11426024 0.86 ALDH1A1 (0.62) ALDH1A1DDX3XSMN1; SMN2LMNAMAPT
SCHEMBL18789769 0.83 ALDH1A1 (0.58) ALDH1A1DDX3XSMN1; SMN2LMNAMAPT
SCHEMBL16444456 0.82 ALDH1A1 (0.57) ALDH1A1DDX3XSMN1; SMN2LMNAMAPT
SCHEMBL11420255 0.82 DDX3X (0.65) ALDH1A1DDX3XSMN1; SMN2LMNAMAPT
SCHEMBL7781791 0.81 ALDH1A1 (0.60) ALDH1A1DDX3XSMN1; SMN2LMNAKMT2A
SCHEMBL16646786 0.81 ALDH1A1 (0.55) ALDH1A1DDX3XSMN1; SMN2HDAC3HDAC4
SCHEMBL20194153 0.81 ALDH1A1 (0.55) ALDH1A1DDX3XSMN1; SMN2HDAC3HDAC4
SCHEMBL11876425 0.81 HSD17B10 (0.72) ALDH1A1DDX3XSMN1; SMN2MAPTL3MBTL1
SCHEMBL3078788 0.81 KMT2A (0.56) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL6251216 0.81 RXRA (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 US disclosed
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 US disclosed
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-02-21 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
CN-101263131-B Urea glucokinase activators TRANSTECH PHARMA INC 2013-04-24 CN disclosed
US-20070287195-A1 Carohydrate-Ligand Conjugates and Their Application for the Analysis of Carbohydrate-Protein Interaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-12-13 US disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
EP-1477484-A1 Oxonol dye compound, optical information recording medium using the same, and optical information FUJI PHOTO FILM CO., LTD. (JP) 2004-11-17 EP disclosed
EP-1253148-A2 Oxonol dye compound, optical information recording medium using the same, and optical information FUJI PHOTO FILM CO., LTD. (JP) 2002-10-30 EP disclosed
US-4552699-A Process for the preparation of 3-acylaminoanilines HOECHST AKTIENGESELLSCHAFT (DE) 1985-11-12 US disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 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 (7 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-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT ALDH1A1 3541/4885DDX3X 1317/4885SMN1; SMN2 4754/4885
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT ALDH1A1 3541/4885DDX3X 1317/4885SMN1; SMN2 4754/4885
US-20070287195-A1 Carohydrate-Ligand Conjugates and Their Application for the Analysis of Carbohydrate-Protein Interaction CA11, CNPY3, CACYBP ALDH1A1 3453/4885DDX3X 3879/4885SMN1; SMN2 3837/4885
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT ALDH1A1 3241/4885DDX3X 1399/4885SMN1; SMN2 4058/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT ALDH1A1 3541/4885DDX3X 1317/4885SMN1; SMN2 4754/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT ALDH1A1 3241/4885DDX3X 1399/4885SMN1; SMN2 4058/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885DDX3X 3444/4885SMN1; SMN2 3196/4885

“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.