SCHEMBL8909412

SCHEMBL8909412

CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 0.78
HTT P42858 3/20 0.76
ATM Q13315 2/20 0.69
ALDH1A1 P00352 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 3/20 0.67
STAT1 P42224 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
LMNA P02545 5/20 0.67
POLB P06746 1/20 0.64
USP2 O75604 1/20 0.63
MEN1 O00255 1/20 0.61
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL12031669 0.85 RAB9A (0.79) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031703 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL7963533 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031680 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL6466238 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031737 0.80 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL22548001 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL16153180 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL1450411 0.79 HPGD (0.80) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031711 0.78 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPK1KMT2A

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
US-8420805-B2 Process for preparing prophyrin derivatives, such as protoprophyrin (IX) and synthesis intermediates SANOFI PASTEUR S.A. (FR) 2013-04-16 US disclosed
US-20110306761-A1 Process For Preparing Prophyrin Derivatives, Such As Protoprophyrin (IX) And Synthesis Intermediates SANOFI PASTEUR SA (FR) 2011-12-15 US disclosed
US-8026358-B2 Coupling (2-iodo-3-methyl-5-pyrrolyl)(2-iodo-4-methyl-5-pyrrolyl)methane or derivative with bis(2-formyl-3-methyl-4-(2-alkoxycarbonylethyl)4-pyrrolyl)methane in an acidic medium with optiona hydrolsis or saponification; preparing heme, hemin or hematin SANOFI PASTEUR S.A. (FR) 2011-09-27 US disclosed
US-20080242857-A1 Coupling (2-iodo-3-methyl-5-pyrrolyl)(2-iodo-4-methyl-5-pyrrolyl)methane or derivative with bis(2-formyl-3-methyl-4-(2-alkoxycarbonylethyl)4-pyrrolyl)methane in an acidic medium with optiona hydrolsis or saponification; preparing heme, hemin or hematin SANOFI PASTEUR SA (FR) 2008-10-02 US disclosed
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed
EP-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 EP disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 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-20110306761-A1 Process For Preparing Prophyrin Derivatives, Such As Protoprophyrin (IX) And Synthesis Intermediates PPOX, F9, RCN1 RAB9A 1440/4885NPC1 1745/4885SMN1; SMN2 4740/4885
US-20080242857-A1 Coupling (2-iodo-3-methyl-5-pyrrolyl)(2-iodo-4-methyl-5-pyrrolyl)methane or derivative with bis(2-formyl-3-methyl-4-(2-alkoxycarbonylethyl)4-pyrrolyl)methane in an acidic medium with optiona hydrolsis or saponification; preparing heme, hemin or hematin MB, CYC1, MDN1 RAB9A 3893/4885NPC1 4116/4885SMN1; SMN2 3243/4885

“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.