SCHEMBL6263718

SCHEMBL6263718

CC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.90
NPC1 O15118 3/20 0.90
RAB9A P51151 3/20 0.90
MEN1 O00255 2/20 0.90
ALDH1A1 P00352 2/20 0.90
MAPT P10636 2/20 0.90
KMT2A Q03164 2/20 0.90
SMN1; SMN2 Q16637 2/20 0.90
PTPRC P08575 7/20 0.69
PTPN13 Q12923 3/20 0.69
CTSL P07711 2/20 0.69
PTPN1 P18031 2/20 0.69
CTSS P25774 2/20 0.69
LCK P06239 1/20 0.69
PTPN2 P17706 1/20 0.69
CYP1A2 P05177 2/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 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
SCHEMBL3954523 0.97 MAOA (0.84) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL29539012 0.97 MAOA (0.97) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL9261554 0.97 MAOA (0.97) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL2812760 0.95 MAOA (1.00) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL21840827 0.93 MAOA (0.90) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL4291944 0.89 MAOA (0.89) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL22321720 0.89 MAOA (0.83) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL11475238 0.84 MAOA (0.75) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL11481336 0.83 MAPT (0.73) MAOANPC1RAB9AMEN1ALDH1A1
SCHEMBL13165575 0.83 ALDH1A1 (0.67) MAOANPC1RAB9AMEN1ALDH1A1

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
US-20200155609-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS TRANSFUSION HEALTH LLC 2020-05-21 US disclosed
US-20200155609-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS TRANSFUSION HEALTH LLC 2020-05-21 US disclosed
EP-3630956-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS Transfusion Health, LLC (US) 2020-04-08 EP disclosed
WO-2018217567-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS TRANSFUSION HEALTH, LLC (US) 2018-11-29 WO disclosed
EP-1242363-B1 CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
US-20030207812-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-11-06 US disclosed
EP-1242363-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO 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-20030207812-A1 Cd45 inhibitors CD74, CD2, PTPRC MAOA 2792/4885NPC1 3699/4885RAB9A 1987/4885
US-20200155609-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS PTEN, MCL1, PIK3CA MAOA 4479/4885NPC1 1762/4885RAB9A 799/4885

“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.