SCHEMBL16727014

SCHEMBL16727014

Cc1cc(CCl)cc(OC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.36
BTK Q06187 1/20 0.34
HTT P42858 1/20 0.33
S1PR1 P21453 2/20 0.32
FFAR4 Q5NUL3 2/20 0.31
CSNK2A1 P68400 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL18358111 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ACYP1A2POLB
SCHEMBL23458233 0.79 HTT (0.42) SMN1; SMN2MEN1KMT2ACYP1A2HTT
SCHEMBL17703912 0.77 LOXL2 (0.37) SMN1; SMN2MEN1KMT2ACYP1A2POLB
SCHEMBL1314802 0.76 HTT (0.43) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL12250774 0.75 BTK (0.49) SMN1; SMN2MEN1KMT2ACYP1A2POLB
Hydrochloric Acid SCHEMBL502252 0.74 HTT (0.42) SMN1; SMN2MEN1KMT2APOLBMAPK1
SCHEMBL19510575 0.72 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2POLB
SCHEMBL17506441 0.72 MAPT (0.44) SMN1; SMN2MEN1KMT2ACYP1A2POLB
SCHEMBL13194606 0.71 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP1A2POLB
SCHEMBL17194885 0.71 MAPT (0.50) SMN1; SMN2MEN1KMT2ACYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 SMN1; SMN2 2858/4885MEN1 3484/4885KMT2A 2505/4885

“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.