SCHEMBL3606284

SCHEMBL3606284

COC(=O)c1ccc([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.76
HTT P42858 2/20 0.52
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP19A1 P11511 1/20 0.50
GAA P10253 1/20 0.50
EPHX1 P07099 1/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL5629195 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HTTMAPTKMT2ACYP19A1
SCHEMBL7997377 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKMT2ACYP19A1GAA
SCHEMBL5156571 0.85 SMN1; SMN2 (0.67) SMN1; SMN2HTTMAPTKMT2ACYP19A1
SCHEMBL7305473 0.82 SMN1; SMN2 (0.71) SMN1; SMN2HTTMAPTKMT2ALMNA
SCHEMBL9508005 0.82 SMN1; SMN2 (0.54) SMN1; SMN2HTTMAPTKMT2ALMNA
SCHEMBL7594732 0.82 SMN1; SMN2 (0.54) SMN1; SMN2HTTMAPTKMT2AGAA
SCHEMBL7581412 0.82 SMN1; SMN2 (0.54) SMN1; SMN2HTTMAPTKMT2AGAA
SCHEMBL11450353 0.82 SMN1; SMN2 (0.74) SMN1; SMN2HTTMAPTKMT2ACYP19A1
SCHEMBL28504947 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTKMT2ALMNA
SCHEMBL1403472 0.81 ALDH1A1 (0.56) SMN1; SMN2HTTMAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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 (4 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 SMN1; SMN2 4151/4885HTT 4854/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SMN1; SMN2 4245/4885HTT 4850/4885MAPT 3296/4885
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 SMN1; SMN2 1047/4885HTT 3170/4885MAPT 4758/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 SMN1; SMN2 4213/4885HTT 4846/4885MAPT 3414/4885

“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.