SCHEMBL709274

SCHEMBL709274

Cn1nnnc1-c1cccc(CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
P2RX7 Q99572 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR3 P51677 3/20 0.39
ACLY P53396 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL12879723 0.86 MEN1 (0.48) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL20178711 0.81 HSD11B1 (0.48) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL709279 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1L3MBTL1P2RX7POLB
SCHEMBL12377870 0.80 L3MBTL1 (0.62) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7452483 0.77 ACLY (0.53) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1092164 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL584175 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL926289 0.75 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL20429121 0.74 AGTR1 (0.49) SMN1; SMN2
SCHEMBL822762 0.74 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
CN-1276785-A N-aroylphenylalanine derivs. HOFFMANNN LA ROCHE AG F (CH) 2000-12-13 CN disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 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 (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-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL SMN1; SMN2 2764/4885MEN1 2484/4885KMT2A 1261/4885
US-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 SMN1; SMN2 3571/4885MEN1 3010/4885KMT2A 2084/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 SMN1; SMN2 1522/4885MEN1 2452/4885KMT2A 716/4885

“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.