SCHEMBL3218607

SCHEMBL3218607

N=C(N)N1CCCN(C(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
MAPK1 P28482 1/20 0.52
GHSR Q92847 2/20 0.50
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A7 Q99884 1/20 0.45
FASN P49327 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
L3MBTL3 Q96JM7 1/20 0.44

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
SCHEMBL3221724 0.96 POLB (0.49) HPGDMAPK1GHSRPOLBSMN1; SMN2
SCHEMBL3224806 0.81 MEN1 (0.71) MAPK1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3210771 0.81 HPGD (0.53) HPGDMAPK1GHSR
SCHEMBL3218211 0.80 SIGMAR1 (0.56) HPGDMAPK1GHSRPOLB
SCHEMBL3218307 0.77 SMN1; SMN2 (0.51) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL774880 0.76 KDM1A (0.57)
SCHEMBL3216306 0.73 TSHR (0.71) KMT2ATSHR
SCHEMBL7069417 0.73 HPGD (0.68) HPGDMAPK1POLBSMN1; SMN2MEN1
SCHEMBL3222628 0.73 MAPK14 (0.51) LMNAL3MBTL1L3MBTL3
Bromide SCHEMBL11386071 0.71 BLM (0.60) HPGDPOLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B HPGD 1778/4885MAPK1 2955/4885GHSR 4643/4885

“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.