SCHEMBL15939461

SCHEMBL15939461

CCCCCCCCCCCCCCCC(Br)c1sc(NC(C)=O)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
PIK3CG P48736 7/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 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
SCHEMBL24599388 0.86 ALDH1A1 (0.48) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL24599484 0.84 ALDH1A1 (0.46) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL4205644 0.69 ALDH1A1 (0.49) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL24599434 0.68 PSEN1 (0.41) POLBSMN1; SMN2TSHRPSEN1PSEN2
SCHEMBL48387 0.67 ALDH1A1 (0.53) ALDH1A1HPGDNPC1RAB9APIK3CG
SCHEMBL24599347 0.67 PSEN1 (0.41) NPC1RAB9ASMN1; SMN2TSHRPSEN1
SCHEMBL1062484 0.64 ALDH1A1 (0.61) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL3585209 0.62 ALDH1A1 (0.64) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL8811568 0.62 PIK3CG (0.56) ALDH1A1HPGDPIK3CGPI4KBPIK3CD
SCHEMBL9570975 0.61 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9APIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB ALDH1A1 234/4885HPGD 957/4885NPC1 3795/4885

“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.