SCHEMBL532030

SCHEMBL532030

CCC(=O)Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 7/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
DAPK3 O43293 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
PAK4 O96013 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55

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
SCHEMBL30555325 0.86 HTT (0.97) HTTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL22500270 0.83 POLB (0.76) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28089438 0.83 ITGB3 (0.55) HTTSMN1; SMN2RAB9ATP53MAPT
SCHEMBL532005 0.83 KMT2A (0.73) HTTMAPTUSP2TSHRHSD17B10
SCHEMBL13607143 0.83 SMN1; SMN2 (0.55) HTTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL11198571 0.82 SMN1; SMN2 (0.55) HTTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL13607145 0.82 SMN1; SMN2 (0.54) HTTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL5458464 0.81 MAPT (0.56) HTTRAB9ANPC1MAPTTSHR
SCHEMBL5081479 0.81 NPY2R (0.57) HTTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL12005896 0.81 ALDH1A1 (0.57) SMN1; SMN2RAB9ANPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO claimed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO disclosed
EP-2152270-B1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-04 EP disclosed
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 HTT 2124/4885SMN1; SMN2 2100/4885RAB9A 3651/4885

“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.