SCHEMBL209208

SCHEMBL209208

CCCCCCCCN(C)c1ccc(Nc2nc(-c3cccnc3)c(C)s2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.40
CHRNA7 P36544 1/20 0.38
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
PPARG P37231 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL3243800 0.91 DHODH (0.41) DHODHCHRNA7MEN1KMT2ARAB9A
SCHEMBL2706683 0.88 DHODH (0.38) DHODHCHRNA7MAOAMAOBMEN1
SCHEMBL2699866 0.84 MEN1 (0.53) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL205994 0.84 S1PR1 (0.43) DHODHCHRNA7MAOAMAOBMEN1
SCHEMBL2706671 0.84 DHODH (0.38) DHODHCHRNA7KMT2APPARGPTGES
SCHEMBL2696740 0.83 MEN1 (0.54) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL13159796 0.80 CHRNA7 (0.55) DHODHCHRNA7MAOAMAOBMEN1
SCHEMBL208175 0.79 DHODH (0.43) DHODHPPARGPTGESALOX5LMNA
SCHEMBL2697517 0.77 BRAF (0.36) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL3122408 0.77 CHRNA7 (0.42) DHODHCHRNA7MEN1KMT2ARAB9A

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 9 patents. 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
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 DHODH 1219/4885CHRNA7 4750/4885MAOA 2881/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885CHRNA7 4750/4885MAOA 2881/4885

“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.