SCHEMBL416553

SCHEMBL416553

O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.81
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
ALDH1A1 P00352 3/20 0.75
MAPT P10636 6/20 0.68
RAB9A P51151 7/20 0.64
NPC1 O15118 5/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 3/20 0.64
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
RECQL P46063 1/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL29242620 0.81 MAPT (1.00) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29242621 0.79 MAPT (0.79) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL38658836 0.77 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29242623 0.77 MAPT (0.78) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL5493447 0.76 SMN1; SMN2 (0.75) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL21933288 0.76 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1
SCHEMBL5173668 0.76 RAB9A (0.86) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL12610862 0.76 CYP1A2 (0.72) SMN1; SMN2MEN1KMT2AMAPTRAB9A
SCHEMBL10115636 0.75 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL13756754 0.75 CNR1 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB SMN1; SMN2 3959/4885MEN1 4332/4885KMT2A 645/4885

“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.