SCHEMBL19767129

SCHEMBL19767129

Cc1ccc(N2CC(NC(C)C)C2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.37
NOTUM Q6P988 8/20 0.36
SOS1 Q07889 4/20 0.36
CASR P41180 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TP53 P04637 1/20 0.35
ACACB O00763 2/20 0.35

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
SCHEMBL21913657 0.79 AR (0.39)
SCHEMBL20180730 0.78 ALKBH5 (0.39) ALKBH5NOTUMSOS1HTR2AHTR2C
SCHEMBL19767128 0.78 ACACB (0.38) ALKBH5NOTUMSOS1HTR2AHTR2C
SCHEMBL13122994 0.76 AR (0.49) ALKBH5NOTUMHTR2AHTR2CHTR2B
SCHEMBL16523153 0.75 KDM4E (0.42) ALKBH5NOTUM
SCHEMBL13123030 0.75 KDM4E (0.42) ALKBH5NOTUM
SCHEMBL21534772 0.75 GRM4 (0.43) ACACB
SCHEMBL28166708 0.74 AR (0.48) ALKBH5NOTUMHTR2AHTR2CHTR2B
SCHEMBL28057536 0.73 SOS1 (0.48) ALKBH5NOTUMSOS1
SCHEMBL14414421 0.72 PDK2 (0.44) ALKBH5NOTUMTP53

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-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF MERIAL, INC. (US) 2018-01-11 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-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF CYP8B1, CYP2C8, CYP2B6 ALKBH5 2049/4885NOTUM 451/4885SOS1 4639/4885

“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.