SCHEMBL17848998

SCHEMBL17848998

O=C(O)NCCN(CCNC(=O)O)CC(Cc1ccc([N+](=O)[O-])cc1)CN(CCNC(=O)O)CCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12356099 0.83 PPARG (0.44) POLBHTTALDH1A1
SCHEMBL15118484 0.79 ALDH1A1 (0.45) POLBHTTALDH1A1
SCHEMBL12356100 0.78 LOXL2 (0.50) LMNAPOLBALDH1A1KCNH2GAA
SCHEMBL9682915 0.78 MEN1 (0.46) MEN1KMT2ALMNAPOLBHTT
SCHEMBL1695076 0.74 SMN1; SMN2 (0.66) MEN1KMT2ALMNAHTTNPC1
SCHEMBL16722430 0.72 MMP2 (0.48) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL4801300 0.72 ALDH1A1 (0.60) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL1521016 0.71 PTPRF (0.57) MEN1KMT2ASMN1; SMN2GAACA2
SCHEMBL16061774 0.69 MEN1 (0.45) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL3091161 0.69 TSHR (0.53) MEN1KMT2ALMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
US-11260136-B2 Radio-pharmaceutical complexes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-03-01 US disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
EP-3468619-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer Pharma Aktiengesellschaft (DE) 2019-04-17 EP disclosed
US-20190091354-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-28 US disclosed
EP-3432936-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 EP disclosed
WO-2017211809-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 WO disclosed
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2017-11-30 US disclosed
EP-3233137-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer AS (NO) 2017-10-25 EP disclosed
WO-2017162555-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
WO-2016096843-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2016-06-23 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 (5 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-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 TMEM97 605/4885SIGMAR1 1001/4885MEN1 262/4885
US-11260136-B2 Radio-pharmaceutical complexes EGFR, MET, ERBB2 TMEM97 669/4885SIGMAR1 1145/4885MEN1 244/4885
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 TMEM97 1287/4885SIGMAR1 1516/4885MEN1 39/4885
US-20190091354-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 TMEM97 657/4885SIGMAR1 1098/4885MEN1 257/4885
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES FAP, PHPT1, DNPEP TMEM97 2590/4885SIGMAR1 4148/4885MEN1 307/4885

“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.