SCHEMBL14235873

SCHEMBL14235873

Fc1ccc(C(F)(F)F)c(CNc2ncc(CC3CNc4ncc(Cl)cc43)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ VNN1 O95497 6/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ P2RX7 Q99572 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ STK17B O94768 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31
▸ SLC6A4 P31645 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL14235595 0.89 CYP2C9 (0.36) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL14236264 0.85 VNN1 (0.42) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL14236233 0.82 NTRK1 (0.41) NTRK1
SCHEMBL14235596 0.81 NTRK1 (0.33) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL14235722 0.79 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6NTRK1
SCHEMBL14236211 0.78 HDAC1 (0.38) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL14236271 0.78 VNN1 (0.41) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL12304080 0.78 VNN1 (0.41) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL14196620 0.77 — —
SCHEMBL14235887 0.77 SLC2A1 (0.43) HDAC3HDAC1HDAC2HDAC6P2RX7

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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — 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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 HDAC3 3556/4885HDAC1 2741/4885HDAC2 3314/4885

“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.

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