SCHEMBL4380684

SCHEMBL4380684

CCC(N)C(=O)Nc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.56
CXCR1 P25024 1/20 0.55
CXCR2 P25025 1/20 0.55
GAA P10253 4/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PABPC1 P11940 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
EIF4H Q15056 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
KCNMA1 Q12791 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL11733765 0.82 SMN1; SMN2 (0.64) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL8097012 0.80 POLB (0.77) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL18600723 0.79 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL11874002 0.77 CXCR1 (0.68) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL4971640 0.77 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL915213 0.77 MEN1 (0.64) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL2243374 0.77 MAPT (0.72) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL17149399 0.77 GAA (0.66) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL11859468 0.75 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTALDH1A1CXCR1
SCHEMBL1024222 0.75 CXCR2 (0.68) SMN1; SMN2LMNAHTTALDH1A1CXCR1

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
EP-1390343-B1 NOVEL RETINOID DERIVATIVES AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS CHEBIGEN CO LTD (KR) 2009-10-14 EP disclosed
US-7166744-B2 Retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds CHEBIGEN CO., LTD. (KR) 2007-01-23 US disclosed
CN-1269799-C Novel retinoid derivatives, process for producing the same and anti-cancer pharmaceutical composition comprising the same CHEBIGEN CO LTD (KR) 2006-08-16 CN disclosed
EP-1390343-A4 NOVEL RETINOID DERIVATIVES AND METHODS FOR PRODUCING SAID COMPOUNDS AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS CHEBIGEN CO LTD (KR) 2005-06-22 EP disclosed
EP-1390343-A1 NOVEL RETINOID DERIVATIVES AND METHODS FOR PRODUCING SAID COMPOUNDS AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS Chebigen Co., Ltd. (KR) 2004-02-25 EP disclosed
CN-1455765-A Novel retinoid derivatives and production method thereof and anti-cancer pharmaceutical composition comprising same CHEBIGEN CO LTD (KR) 2003-11-12 CN disclosed
US-20030171339-A1 Novel retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds CHEBIGEN CO., LTD. (KR) 2003-09-11 US disclosed
WO-2002096857-A1 NOVEL RETINOID DERIVATIVES AND METHODS FOR PRODUCING SAID COMPOUNDS AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS CHEBIGEN CO., LTD. (KR) 2002-12-05 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 (1 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-20030171339-A1 Novel retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds RXRB, RARB, RXRA SMN1; SMN2 4240/4885LMNA 2056/4885HTT 4384/4885

“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.