SCHEMBL21145379

SCHEMBL21145379

Nc1cc(-c2ccn[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
JAK2 O60674 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NOTUM Q6P988 5/20 0.45
POLB P06746 2/20 0.45
PTPN11 Q06124 1/20 0.41
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1814558 0.79 NOTUM (0.58) MAPTMEN1KMT2AMITFHTT
SCHEMBL4554080 0.79 NOTUM (0.61) MAPTMEN1KMT2AMITFHTT
SCHEMBL12076512 0.78 NPC1 (0.50) MAPTMEN1KMT2AMITFHTT
SCHEMBL1813050 0.78 MAPT (0.47) MAPTMEN1KMT2AMITFHTT
SCHEMBL3973537 0.78 MAPT (0.69) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL1068671 0.78 MAPT (0.48) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL1807875 0.75 VCAM1 (0.50) MAPTMEN1KMT2AMITFHTT
SCHEMBL13735401 0.74 MAPT (0.55) MAPTMEN1KMT2AHTTTDP1
SCHEMBL4578254 0.74 TDP1 (0.50) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL4306926 0.74 POLB (0.53) MAPTMEN1KMT2AMITFHTT

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
CN-109790148-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-06-07 CN disclosed
EP-3519397-B1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-05-19 EP disclosed
US-10927110-B2 Cyano-subtituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-02-23 US disclosed
US-20190218215-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2019-07-18 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-20190218215-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 MAPT 3709/4885MEN1 3369/4885KMT2A 2719/4885
US-10927110-B2 Cyano-subtituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 MAPT 3709/4885MEN1 3369/4885KMT2A 2719/4885

“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.