SCHEMBL2699863

SCHEMBL2699863

CCCCCCCCOc1ccc(Nc2nc(CN3CCN(Cc4ccccn4)CC3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.49
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDC25B P30305 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL206404 0.85 ALDH1A1 (0.48) NPC1RAB9AHPGDTP53KMT2A
SCHEMBL250151 0.85 HRH1 (0.46) HRH1ADRB2ADRB1ADRB3MEN1
SCHEMBL205512 0.85 HRH3 (0.45) NPC1RAB9AHPGDTP53MEN1
SCHEMBL10190843 0.84 MAPT (0.46) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL250502 0.84 RAB9A (0.54) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL205781 0.83 NPC1 (0.41) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL250489 0.82 SPHK1 (0.45) NPC1RAB9AHPGDTP53MEN1
SCHEMBL2695458 0.81 S1PR5 (0.52) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL252936 0.81 EPHX2 (0.45) HRH1KDM4EMAPTALDH1A1HRH2
SCHEMBL251744 0.80 SPHK1 (0.47) RAB9AMEN1KMT2AGAAMAPT

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 7 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-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 HRH1 695/4885NPC1 62/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 HRH1 695/4885NPC1 62/4885RAB9A 1357/4885

“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.