SCHEMBL3249716

SCHEMBL3249716

Cc1ccc(C(=O)NCCc2ccccc2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.65
NPC1 O15118 11/20 0.65
SMN1; SMN2 Q16637 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HDAC8 Q9BY41 3/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
TP53 P04637 1/20 0.56
KLF5 Q13887 1/20 0.55
MAPT P10636 1/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54

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
SCHEMBL10319381 0.86 ALDH1A1 (0.70) RAB9AL3MBTL1HDAC8HDAC2HDAC6
SCHEMBL10634169 0.85 MAPT (0.61) SMN1; SMN2HDAC3MAPTKDM4EPOLB
SCHEMBL10324735 0.83 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2HDAC8HDAC2
SCHEMBL4930780 0.82 HDAC2 (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC8
SCHEMBL18432597 0.81 MAPT (0.56) SMN1; SMN2L3MBTL1HDAC3TP53MAPT
SCHEMBL13175583 0.80 NPC1 (0.79) RAB9ANPC1SMN1; SMN2HDAC8HDAC2
SCHEMBL16900376 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HDAC8HDAC2
SCHEMBL10761716 0.79 HDAC2 (0.73) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC8
SCHEMBL2956025 0.79 NPC1 (0.68) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL17822187 0.78 NPC1 (0.81) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
EP-1409463-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-21 EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 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 (3 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA RAB9A 2565/4885NPC1 3351/4885SMN1; SMN2 2577/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA RAB9A 2793/4885NPC1 3085/4885SMN1; SMN2 2454/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA RAB9A 2793/4885NPC1 3085/4885SMN1; SMN2 2454/4885

“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.