SCHEMBL9915401

SCHEMBL9915401

CCCCOc1cnc(CCl)cc1OCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR8 Q9NR97 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RECQL P46063 1/20 0.33
MCHR1 Q99705 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6609628 0.92 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9915402 0.82 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TLR8SMN1; SMN2
SCHEMBL9915311 0.82 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19TLR8NPC1
SCHEMBL3571240 0.77 CSNK2A1 (0.35) TLR8SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL6608422 0.76 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL9915310 0.74 NPC1 (0.36) CYP1A2CYP2C9CYP2C19TLR8NPC1
SCHEMBL16748702 0.74 ALDH1A1 (0.44) CYP1A2CYP2C19SMN1; SMN2PDE4APDE4B
SCHEMBL13412631 0.73 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8SMN1; SMN2
SCHEMBL27278144 0.73 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3335759 0.73 NPC1 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885

“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.