SCHEMBL3754859

SCHEMBL3754859

CCOC(=O)CCCn1c(=O)[nH]c2cccc(N)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
MAPT P10636 1/20 0.47
TNF P01375 8/20 0.46
CHEK1 O14757 1/20 0.45
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL3748048 0.86 HSD17B10 (0.47) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL3722289 0.83 HSD17B10 (0.45) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL2311046 0.81 DAO (0.50) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL10830938 0.81 TNF (0.58) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL7654811 0.79 HSD17B10 (0.71) HSD17B10MAPTTNFSMN1; SMN2MAPK10
SCHEMBL8106312 0.79 ALDH1A1 (0.44) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL31276105 0.75 KDM4E (0.46) HSD17B10CHEK1SMN1; SMN2KDM4EHDAC3
SCHEMBL7649673 0.74 HSD17B10 (0.67) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL7648336 0.74 HSD17B10 (0.67) HSD17B10MAPTTNFGAASMN1; SMN2
SCHEMBL13129781 0.73 KMT2A (0.57) HSD17B10MAPTTNFGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 HSD17B10 1553/4885MAPT 4205/4885TNF 4681/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 HSD17B10 1663/4885MAPT 4194/4885TNF 2089/4885

“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.