SCHEMBL14790239

SCHEMBL14790239

Cc1ccc(-c2ccc3nc(C)oc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TP53 P04637 3/20 0.46
ELANE P08246 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
STAT1 P42224 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL14330030 0.92 GAA (0.59) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL13035945 0.90 NPC1 (0.63) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL12597036 0.87 GAA (0.75) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL5849595 0.85 L3MBTL1 (0.77) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL5541680 0.84 KDM4E (0.63) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL28874276 0.82 NPC1 (0.46) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL29878463 0.82 NPC1 (0.46) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL13533842 0.81 ALDH1A1 (0.68) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL14331405 0.80 GAA (0.47) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL13533846 0.80 ALDH1A1 (0.66) L3MBTL1GAANPC1RAB9AKDM4E

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-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US disclosed
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 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 (4 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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 L3MBTL1 343/4885GAA 2272/4885NPC1 881/4885
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP L3MBTL1 287/4885GAA 2843/4885NPC1 798/4885
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B L3MBTL1 247/4885GAA 2809/4885NPC1 933/4885
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, BLVRB, RRP1B L3MBTL1 346/4885GAA 2612/4885NPC1 755/4885

“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.