SCHEMBL12989331

SCHEMBL12989331

CCCCNC(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
EPHX2 P34913 3/20 0.59
EPHX1 P07099 9/20 0.58
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
NAMPT P43490 1/20 0.55
HTT P42858 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL12988587 0.91 MEN1 (0.76) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL27782774 0.88 RECQL (0.62) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL414186 0.86 RECQL (0.60) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL4343691 0.84 EPHX1 (0.60) RECQLSMN1; SMN2KMT2AMEN1EPHX2
Hydrochloric Acid SCHEMBL320450 0.81 NAMPT (0.57) RECQLSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL23646221 0.81 EPHX1 (0.66) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL23646267 0.81 EPHX1 (0.66) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL23646198 0.81 EPHX1 (0.66) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL23646271 0.81 EPHX1 (0.66) RECQLSMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL31372224 0.81 EPHX1 (0.66) RECQLSMN1; SMN2KMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB RECQL 2479/4885SMN1; SMN2 4165/4885KMT2A 1287/4885

“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.