SCHEMBL5455469

SCHEMBL5455469

O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.80
ALOX12 P18054 5/20 0.80
MAPT P10636 2/20 0.80
LMNA P02545 1/20 0.80
NPSR1 Q6W5P4 2/20 0.74
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
PLA2G1B P04054 1/20 0.70
ATG4B Q9Y4P1 1/20 0.70
EPHX1 P07099 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KCNH2 Q12809 1/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 2/20 0.61
CYP3A4 P08684 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL2522981 0.89 ALDH1A1 (0.77) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL11163778 0.89 ALDH1A1 (0.65) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL3059371 0.86 ALDH1A1 (0.74) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL6170575 0.84 POLB (0.67) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL30008296 0.84 POLB (0.67) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL6118209 0.84 EPHX1 (0.78) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL14096634 0.82 ALDH1A1 (0.67) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL9232517 0.81 EPHX2 (0.60) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL28169922 0.81 SMN1; SMN2 (0.59) ALDH1A1ALOX12MAPTLMNANPSR1
SCHEMBL9453927 0.81 ALDH1A1 (0.67) ALDH1A1ALOX12MAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885ALOX12 2196/4885MAPT 4038/4885

“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.