SCHEMBL4465299

SCHEMBL4465299

CCOc1ccccc1-n1c(CC)nc2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.79
HIF1A Q16665 12/20 0.71
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTR7 P34969 1/20 0.53

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
SCHEMBL14767392 0.90 HIF1A (0.68) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL4400208 0.90 HIF1A (0.71) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL14303441 0.90 HIF1A (0.68) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL14303440 0.88 L3MBTL1 (0.64) L3MBTL1HIF1AALDH1A1LMNATSHR
SCHEMBL4781771 0.88 HIF1A (0.66) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL4507484 0.87 L3MBTL1 (0.61) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL1592824 0.86 L3MBTL1 (0.60) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL13789634 0.85 L3MBTL1 (0.58) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL12610042 0.84 HIF1A (0.86) L3MBTL1HIF1AALDH1A1LMNAPKM
SCHEMBL1592847 0.83 ALDH1A1 (0.57) L3MBTL1HIF1AALDH1A1LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108384-A2 COMPOUNDS AND COMPOSITIONS THAT CAUSE NON-APOPTOTIC CELL DEATH AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-09-03 WO disclosed
US-20080299076-A1 Compunds and compositions that cause non-apoptotic cell death and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
WO-2008013840-A2 ERASTIN ANALOGS AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 WO disclosed
WO-2008013840-A2 ERASTIN ANALOGS AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 WO disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 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-20080299076-A1 Compunds and compositions that cause non-apoptotic cell death and uses thereof BAD, CASP3, BAX L3MBTL1 628/4885HIF1A 910/4885ALDH1A1 2256/4885
US-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 L3MBTL1 4245/4885HIF1A 928/4885ALDH1A1 1049/4885

“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.