SCHEMBL205801

SCHEMBL205801

CCCCCOc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.54
CYP1A2 P05177 8/20 0.54
CYP1B1 Q16678 8/20 0.54
NAMPT P43490 1/20 0.48
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 3/20 0.45
CFTR P13569 1/20 0.44
VCP P55072 1/20 0.43
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
GLA P06280 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL205681 0.89 ALOX5 (0.54) CYP1A1CYP1A2CYP1B1NAMPTRAB9A
SCHEMBL207120 0.88 ALOX5 (0.53) CYP1A1CYP1A2CYP1B1NAMPTRAB9A
SCHEMBL205267 0.86 CYP1A1 (0.53) CYP1A1CYP1A2CYP1B1NAMPTRAB9A
SCHEMBL206689 0.86 ALOX5 (0.46) CYP1B1RAB9AMEN1KMT2AMAPT
SCHEMBL205809 0.85 AGER (0.52) CYP1A1CYP1B1RAB9AMEN1KMT2A
SCHEMBL205341 0.84 RAB9A (0.64) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206322 0.83 MEN1 (0.63) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL207764 0.83 ALOX5 (0.55) MEN1KMT2AMAPTCFTRVCP
SCHEMBL204099 0.83 CYP1A1 (0.50) CYP1A1CYP1A2CYP1B1NAMPTCFTR
SCHEMBL206783 0.82 MEN1 (0.46) RAB9AMEN1KMT2AMAPTSMN1; SMN2

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 10 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 claimed
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 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885

“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.