SCHEMBL5283705

SCHEMBL5283705

O=C(O)Cc1cc(-c2ccccc2)on1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.67
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 6/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL11903187 0.85 LMNA (0.56) NOTUMRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL12002394 0.83 NOTUM (0.58) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL6964641 0.83 NOTUM (0.58) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL14210011 0.81 NOTUM (0.65) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL27163685 0.81 NOTUM (0.55) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1544128 0.80 NOTUM (1.00) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL31686265 0.78 NOTUM (0.59) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL5282505 0.77 NOTUM (0.51) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4050311 0.77 NOTUM (0.74) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL23881773 0.77 NOTUM (0.63) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501200-B Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2020-05-15 CN disclosed
CN-107501200-B Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2020-05-15 CN disclosed
CN-107501200-A Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2017-12-22 CN disclosed
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NOTUM 3506/4885RAB9A 20/4885SMN1; SMN2 3894/4885

“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.