SCHEMBL12204331

SCHEMBL12204331

O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67
P2RY1 P47900 2/20 0.65
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
LMNA P02545 5/20 0.65
NPC1 O15118 5/20 0.65
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MAPT P10636 6/20 0.61
NPSR1 Q6W5P4 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
RAB9A P51151 4/20 0.56
GAA P10253 4/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 1/20 0.55
ADRA2C P18825 1/20 0.54

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
SCHEMBL11036222 0.90 CA12 (0.71) CA12CA1CA2CA9P2RY1
SCHEMBL8109117 0.85 MEN1 (0.64) CA12CA1CA2CA9P2RY1
SCHEMBL9116316 0.85 NPC1 (0.61) CA12CA1CA2CA9MEN1
SCHEMBL21295544 0.82 MAPT (0.67) CA12CA1CA2CA9MEN1
SCHEMBL6058853 0.81 L3MBTL1 (0.72) MEN1KMT2ALMNANPC1SMN1; SMN2
SCHEMBL4548131 0.79 KMT2A (1.00) CA12CA1CA2CA9MEN1
SCHEMBL12113295 0.78 P2RY1 (0.62) CA12CA1CA2CA9P2RY1
SCHEMBL14021839 0.78 MEN1 (0.65) CA12CA1CA2CA9MEN1
SCHEMBL16316797 0.78 L3MBTL1 (0.56) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL4105004 0.78 CNR1 (0.74) MEN1KMT2ALMNANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 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 (2 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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 CA12 2437/4885CA1 695/4885CA2 208/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 CA12 2437/4885CA1 695/4885CA2 208/4885

“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.