SCHEMBL2776090

SCHEMBL2776090

COc1ccc2c(c1)CCCCN2C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.71
NOTUM Q6P988 1/20 0.63
PDK1 Q15118 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK3 Q15120 1/20 0.59
PDK4 Q16654 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL30804503 0.84 HSD17B10 (0.60) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL2203840 0.84 NOTUM (0.83) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL7838147 0.84 HSD17B10 (0.64) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL4869626 0.83 MAPT (0.69) HSD17B10NOTUMSMN1; SMN2KMT2AALDH1A1
SCHEMBL22196868 0.83 HSD17B10 (0.75) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL7385259 0.82 PDK1 (0.61) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL28631380 0.82 HSD17B10 (0.70) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL24764176 0.81 HSD17B10 (0.71) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL4863193 0.80 MAPT (0.64) HSD17B10NOTUMPDK1PDK2PDK3
SCHEMBL4869965 0.80 MAPT (0.64) HSD17B10NOTUMPDK1PDK2PDK3

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-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF HSD17B10 2798/4885NOTUM 4066/4885PDK1 637/4885

“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.