SCHEMBL8305499

SCHEMBL8305499

Cc1ccc(N2CCCCC2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
AKR1C3 P42330 1/20 0.51
BRD9 Q9H8M2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
TP53 P04637 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR1A P08908 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
NR4A1 P22736 1/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2760313 0.95 HSD17B10 (0.57) HSD17B10AKR1C3BRD9ALDH1A1MAPT
SCHEMBL17244485 0.87 HSD17B10 (0.64) HSD17B10AKR1C3BRD9ALDH1A1TP53
SCHEMBL76351 0.85 KMT2A (0.58) HSD17B10AKR1C3BRD9ALDH1A1MAPT
SCHEMBL8305775 0.84 HSD17B10 (0.45) HSD17B10AKR1C3BRD9ALDH1A1TP53
SCHEMBL8305486 0.84 HSD17B10 (0.45) HSD17B10AKR1C3BRD9ALDH1A1TP53
SCHEMBL5425961 0.84 KMT2A (0.57) HSD17B10AKR1C3BRD9ALDH1A1MAPT
SCHEMBL12848677 0.83 HSD17B10 (0.44) HSD17B10AKR1C3BRD9ALDH1A1MAPT
SCHEMBL25669160 0.81 HSD17B10 (0.43) HSD17B10AKR1C3BRD9ALDH1A1TP53
SCHEMBL4825042 0.80 GAA (0.56) HSD17B10AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL25669154 0.80 TP53 (0.44) HSD17B10AKR1C3BRD9ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016034137-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES 石药集团中奇制药技术(石家庄)有限公司 2016-03-10 WO disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HSD17B10 3381/4885AKR1C3 2200/4885BRD9 2527/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HSD17B10 1064/4885AKR1C3 1038/4885BRD9 1179/4885

“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.