SCHEMBL19639770

SCHEMBL19639770

CCC(=O)N(NC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALOX15 P16050 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
CES2 O00748 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5133571 0.81 HDAC1 (0.47) HDAC1HDAC8HDAC6CYP1A2CYP3A4
SCHEMBL3034790 0.79 HDAC1 (0.47) HDAC1HDAC8HDAC6CYP1A2CYP3A4
SCHEMBL19639789 0.79 HDAC1 (0.47) HDAC1HDAC8HDAC6CYP1A2CYP3A4
SCHEMBL8626864 0.74 CYP3A4 (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1POLB
SCHEMBL29565828 0.72 TACR1 (0.53) HDAC6PTGDR2MEN1KMT2A
SCHEMBL967785 0.72 POLQ (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1POLB
SCHEMBL19639758 0.72 ALOX15 (0.44) HDAC1HDAC8HDAC6CYP1A2CYP3A4
SCHEMBL186724 0.72 TP53 (0.50) ALDH1A1POLBTP53CES2MEN1
SCHEMBL11402034 0.72 POLQ (0.52) ALDH1A1POLBTP53ALOX15CES2
SCHEMBL7675880 0.72 TP53 (0.54) ALDH1A1POLBTP53CES2MEN1

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
EP-3464269-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE CHIESI FARM SPA (IT) 2020-04-01 EP disclosed
US-9862706-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-09 US disclosed
US-20170342056-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 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-20170342056-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO HDAC1 91/4885HDAC8 708/4885HDAC6 78/4885

“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.