SCHEMBL18219992

SCHEMBL18219992

COCCNC(=O)/C(C#N)=C(\C)c1ccc2cc(NCCN3CCOCC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
GCK P35557 1/20 0.41
CD274 Q9NZQ7 2/20 0.41

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
SCHEMBL18220011 0.91 TDP1 (0.55) TDP1CYP2C19CYP2C9KMT2ATSHR
SCHEMBL23135041 0.91 CYP2C19 (0.46) CYP2C19CYP1A2CYP2D6CYP2C9KMT2A
SCHEMBL25608089 0.88 GCK (0.42) TDP1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL18220175 0.87 TDP1 (0.43) TDP1CYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL18220146 0.86 TDP1 (0.44) TDP1CYP2C19CYP2C9KMT2ATSHR
SCHEMBL18220204 0.86 TDP1 (0.43) TDP1CYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL18220021 0.86 PRMT5 (0.44) CYP2C19CYP1A2CYP2D6CYP2C9KMT2A
SCHEMBL17120902 0.85 PRMT5 (0.43) CYP2C19CYP1A2CYP2D6CYP2C9KMT2A
SCHEMBL18220000 0.83 APP (0.49) TDP1CYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL21226411 0.82 TSHR (0.46) TDP1KMT2ATSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208916-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME Amydis, Inc. 2024-06-27 US disclosed
US-11718596-B2 Amyloid targeting agents and methods of using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-10005745-B2 Amyloid targeting agents and methods of using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-26 US disclosed
US-20170248616-A1 IN VITRO COMPOSITIONS COMPRISING HUMAN SAMPLE AND AMYLOID TARGETING AGENT Amydis, Inc. 2017-08-31 US disclosed
US-20160326126-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME Amydis, Inc. 2016-11-10 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 (4 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-11718596-B2 Amyloid targeting agents and methods of using the same APP, CRYAA, APBA1 TDP1 973/4885CYP2C19 4801/4885CYP1A2 4407/4885
US-20240208916-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME APP, CRYAA, APBA1 TDP1 973/4885CYP2C19 4801/4885CYP1A2 4407/4885
US-20160326126-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME APP, APBA1, CRYAA TDP1 1018/4885CYP2C19 4807/4885CYP1A2 4438/4885
US-10005745-B2 Amyloid targeting agents and methods of using the same APP, APBA1, CRYAA TDP1 1018/4885CYP2C19 4807/4885CYP1A2 4438/4885

“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.