SCHEMBL1003144

SCHEMBL1003144

Cc1c(F)cc(C(=O)N(C)C)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ ERN1 O75460 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ F10 P00742 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL22210664 0.87 HDAC1 (0.42) HDAC1HDAC6ERN1ALDH1A1HPGD
SCHEMBL22210662 0.85 HDAC1 (0.41) HDAC1HDAC6ERN1ALDH1A1HPGD
SCHEMBL8572282 0.84 CES2 (0.56) HDAC1HDAC6ERN1ALDH1A1HPGD
SCHEMBL18348142 0.79 HDAC1 (0.39) HDAC1HDAC6ERN1ALDH1A1HPGD
SCHEMBL1004232 0.78 HPGD (0.41) ERN1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL12221612 0.78 SMN1; SMN2 (0.52) ERN1ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL16905393 0.78 HDAC1 (0.58) HDAC1HDAC6ERN1ALDH1A1HPGD
SCHEMBL1002662 0.78 ERN1 (0.42) ERN1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL13681549 0.77 SMN1; SMN2 (0.43) ERN1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL1004158 0.77 CES2 (0.54) ERN1ALDH1A1HPGDSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 — — WO disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 — — US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 — — US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 — — US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 — — 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B HDAC1 3902/4885HDAC6 4094/4885ERN1 4129/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HDAC1 3902/4885HDAC6 4094/4885ERN1 4129/4885

“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.

Send feedback