SCHEMBL3470702

SCHEMBL3470702

N#Cc1ccccc1OCCCNC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL22366591 0.81 NOTUM (0.41) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3943926 0.80 ALDH1A1 (0.52) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL21595759 0.79 HPGD (0.46) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3948176 0.79 ALDH1A1 (0.51) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL4841450 0.78 LMNA (0.58) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL10355981 0.78 CA12 (0.50) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL2158544 0.78 ALDH1A1 (0.50) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL3946276 0.78 ALDH1A1 (0.50) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL3944392 0.78 ALDH1A1 (0.50) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL362743 0.77 RAB9A (0.52) ALDH1A1NPC1RAB9AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 SMN1; SMN2 3152/4885GAA 4241/4885ALDH1A1 1934/4885

“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.