SCHEMBL2601753

SCHEMBL2601753

CN(C)C(C)(C)CCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
NFKB1 P19838 1/20 0.32
FDPS P14324 1/20 0.31
PDE3A Q14432 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
KIF11 P52732 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2601752 0.82
SCHEMBL27705607 0.75 CA12 (0.52) TDP1CA12CA1CA2CA3
SCHEMBL11214086 0.75
SCHEMBL3859285 0.74 DNM1 (0.32) DNM1TSHR
SCHEMBL7766848 0.72
SCHEMBL5268953 0.72 DNM1 (0.38) FDPSDNM1TSHR
SCHEMBL10406162 0.72 ODC1 (0.38) NFKB1FDPSPDE3ATDP1LMNA
SCHEMBL10805587 0.72 CHRM2 (0.32) CHRM2
SCHEMBL7755142 0.70 CHRM2 (0.46) CHRM2TDP1
SCHEMBL679280 0.70 TSHR (0.42) FDPSDNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403856-B1 METHYLENEDIOXYBENZO [I]PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER UNIV RUTGERS (US) 2012-12-19 EP claimed
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed
US-10179789-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-15 US disclosed
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-14 US disclosed
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-14 US disclosed
US-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US disclosed
US-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US disclosed
EP-2403856-B1 METHYLENEDIOXYBENZO [I]PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER UNIV RUTGERS (US) 2012-12-19 EP disclosed
CN-101879297-B Prostate recovery capsules of Chinese medicinal compound preparation, preparation process and application thereof NANCHANG MALE HOSPITAL 2012-05-09 CN disclosed
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 US disclosed
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 US disclosed
CN-101879297-A Prostate recovery capsules of Chinese medicinal compound preparation, preparation process and application thereof NANCHANG CITY MALE HOSPITAL 2010-11-10 CN disclosed
WO-2010102219-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-09-10 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 (3 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-10179789-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer TOP2B, TOP1, TOP2A CHRM2 4220/4885NFKB1 626/4885FDPS 1027/4885
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A CHRM2 4220/4885NFKB1 626/4885FDPS 1027/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A CHRM2 4220/4885NFKB1 626/4885FDPS 1027/4885

“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.