SCHEMBL12304080

SCHEMBL12304080

FC(F)(F)Oc1ccc(CNc2ncc(CC3CNc4ncc(Cl)cc43)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNN3 Q9UGI6 1/20 0.39
▸ GPR39 O43194 2/20 0.38
▸ HTR2C P28335 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ MAPK1 P28482 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL14236264 0.86 VNN1 (0.42) VNN1SLC6A4HTR2CHDAC3HDAC1
SCHEMBL14236271 0.84 VNN1 (0.41) VNN1SLC6A4HDAC3HDAC1HDAC2
SCHEMBL14236211 0.84 HDAC1 (0.38) VNN1SLC6A4CCNT1HDAC3HDAC4
SCHEMBL14235722 0.82 HDAC3 (0.47) SLC6A4MAPK1HDAC3HDAC1HDAC2
SCHEMBL14235596 0.81 NTRK1 (0.33) VNN1CCNT1HDAC3HDAC1HDAC2
SCHEMBL14236090 0.80 HDAC3 (0.45) VNN1HTR2CHDAC3HDAC1HDAC2
SCHEMBL14236233 0.80 NTRK1 (0.41) CCNT1NTRK1
SCHEMBL14236274 0.79 VNN1 (0.41) VNN1SLC6A4HDAC3HDAC1HDAC2
SCHEMBL12304343 0.78 CSF1R (0.43) SLC6A4CCNT1HDAC4HDAC1HDAC6
SCHEMBL14235873 0.78 HDAC3 (0.37) VNN1SLC6A4P2RX7HDAC3HDAC1

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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 — — 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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 VNN1 2851/4885SLC6A4 3913/4885KCNN3 2392/4885
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER VNN1 4088/4885SLC6A4 3954/4885KCNN3 1978/4885

“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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