SCHEMBL19965716

SCHEMBL19965716

CCCCCC(C)(CCCCC)c1ccc(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A5 P20815 1/20 0.33
HSD11B1 P28845 1/20 0.33
KCNH2 Q12809 2/20 0.33
HTR2C P28335 3/20 0.32
CNR2 P34972 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
CNR1 P21554 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL19965673 0.94 SCN5A (0.35) SCN5ASCN9AHDAC3HDAC1HDAC2
SCHEMBL19965715 0.83 SOAT1 (0.34) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL27111756 0.82 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL19464679 0.81 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL19965727 0.79 KIF11 (0.40) SMN1; SMN2CNR2CNR1
SCHEMBL19232083 0.78 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL19059646 0.78 SMN1; SMN2 (0.35) HDAC3HDAC1HDAC2SMN1; SMN2MEN1
SCHEMBL26053254 0.76 SMN1; SMN2 (0.36) HDAC3HDAC1HDAC2SMN1; SMN2MEN1
SCHEMBL20780891 0.75 CNR2 (0.36) SMN1; SMN2MEN1KMT2ACNR2CNR1
SCHEMBL26326946 0.74 KIF11 (0.40) SMN1; SMN2CNR2CNR1

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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SCN5A 3862/4885SCN9A 4657/4885HDAC3 236/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SCN5A 3862/4885SCN9A 4657/4885HDAC3 236/4885

“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.