SCHEMBL4628696

SCHEMBL4628696

N=C(NC(=O)c1cccs1)Nc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.53
KCNJ11 Q14654 1/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PARP1 P09874 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3077490 0.77 KDM4E (0.60) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL3068433 0.76 KDM4E (0.61) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4629282 0.74 RAB9A (0.58) MEN1KMT2AL3MBTL1TP53KCNJ11
SCHEMBL4628969 0.74 NPC1 (0.57) MEN1KMT2AL3MBTL1TP53KCNJ11
SCHEMBL1273874 0.74 KDM4E (0.64) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL4627479 0.73 KMT2A (0.57) MEN1KMT2AMAPTTP53KCNJ11
SCHEMBL4629277 0.72 NPC1 (0.57) MEN1KMT2AMAPTL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9438292 0.72 KDM4E (0.62) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL8402365 0.72 HDAC1 (0.75) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL12857910 0.71 MEN1 (0.72) MEN1KMT2AL3MBTL1TP53ALDH1A1

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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA MEN1 1819/4885KMT2A 3245/4885MAPT 705/4885

“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.