SCHEMBL20116152

SCHEMBL20116152

COC(=O)N1CCC(F)(c2nc(-c3ccc4cnn(C(C)C)c4c3)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.40
SMO Q99835 1/20 0.40
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
ABCB11 O95342 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
PTGER3 P43115 1/20 0.35
HDAC4 P56524 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FASN P49327 1/20 0.34
HIF1A Q16665 1/20 0.33
SCD5 Q86SK9 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
SCHEMBL20116156 0.91 KIT (0.36) KITSMOACACBACACAABCB11
SCHEMBL22357933 0.91 HDAC4 (0.43) HDAC4SCD5
SCHEMBL20116155 0.90 GPR119 (0.36) KITSMOACACBACACAABCB11
SCHEMBL22357940 0.87 PLA2G2A (0.36) KITSMOCYP1A2
SCHEMBL22357929 0.85 KIT (0.36) KITSMOACACBACACAABCB11
SCHEMBL20116148 0.85 KIT (0.36) KITSMOACACBACACAABCB11
SCHEMBL20116708 0.84 KIT (0.37) KITSMOPTGER3HDAC4FASN
SCHEMBL20117195 0.83 CYP3A4 (0.46) USP2ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL22358259 0.82 MAPT (0.51) ALDH1A1HSD17B10
SCHEMBL20116171 0.81 GPR119 (0.43) ACACBHDAC4SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KIT 4491/4885SMO 1858/4885ACACB 920/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KIT 4491/4885SMO 1858/4885ACACB 920/4885

“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.