SCHEMBL2698348

SCHEMBL2698348

CCCCCOc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.56
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
CYP1B1 Q16678 2/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
MPL P40238 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
RORC P51449 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL205501 0.88 NPC1 (0.55) AMY1AMEN1KMT2APOLBCYP1B1
SCHEMBL208154 0.86 ALOX5 (0.56) AMY1AMAPTMEN1KMT2AALOX5
SCHEMBL205809 0.83 AGER (0.52) MAPTMEN1KMT2AALOX5PTGES
SCHEMBL207764 0.83 ALOX5 (0.55) MAPTMEN1KMT2APOLBALOX5
SCHEMBL205681 0.79 ALOX5 (0.54) AMY1AMAPTMEN1KMT2APOLB
SCHEMBL206689 0.78 ALOX5 (0.46) MAPTMEN1KMT2APOLBALOX5
SCHEMBL251736 0.78 ALOX5 (0.47) MAPTMEN1KMT2APOLBALOX5
SCHEMBL207120 0.78 ALOX5 (0.53) AMY1AMAPTMEN1KMT2APOLB
SCHEMBL205801 0.77 CYP1A1 (0.54) MAPTMEN1KMT2APOLBALOX5
SCHEMBL205341 0.76 RAB9A (0.64) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 AMY1A 527/4885MAPT 2207/4885MEN1 3862/4885

“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.