SCHEMBL19794419

SCHEMBL19794419

C1=C(c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(C5=CCCCC5)nc4)cc(-c4ccccc4-c4ccc(C5=CCCCC5)nc4)c3)cn2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PTGS2 P35354 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATR Q13535 1/20 0.39
PSMB5 P28074 2/20 0.39
ACMSD Q8TDX5 1/20 0.38
CSF1R P07333 2/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
FFAR2 O15552 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F2RL1 P55085 1/20 0.35
PIM1 P11309 1/20 0.35
FEN1 P39748 1/20 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
SCHEMBL13490344 0.83 TDP1 (0.56) TDP1CASP3SENP8SENP7SENP6
SCHEMBL19801357 0.78 TDP1 (0.36) TDP1CASP3SENP8SENP7SENP6
SCHEMBL3143646 0.74 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL29967909 0.74 KDR (0.51) CSF1RKDR
SCHEMBL28871298 0.74 KDR (0.51) CSF1RKDR
SCHEMBL19794420 0.72 FEN1 (0.34) NPC1RAB9AFEN1HSD17B1HSD17B2
SCHEMBL19933578 0.72 LDHA (0.52) FEN1HSD17B1HSD17B2
SCHEMBL18015574 0.72 LDHA (0.52) FEN1HSD17B1HSD17B2
SCHEMBL24366369 0.71 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL21988063 0.71 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC TDP1 2457/4885CASP3 3610/4885SENP8 3562/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 TDP1 3214/4885CASP3 4272/4885SENP8 4027/4885

“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.