SCHEMBL23867396

SCHEMBL23867396

CN1CCCC#Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TP53 P04637 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 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
SCHEMBL4819614 0.79 ADRA2C (0.33) TNKSPARP1TNKS2TP53ADRA2C
SCHEMBL16707769 0.73 TP53 (0.42) TNKSPARP1TNKS2TP53ADRA2C
SCHEMBL22504862 0.71 TP53 (0.31) TP53
SCHEMBL8661929 0.70 TSHR (0.30)
SCHEMBL14315861 0.68 BRD4 (0.38) ADRA2CMEN1ALDH1A1KMT2AGAA
SCHEMBL29941513 0.67 CNR2 (0.46) TP53ADRA2CMEN1ALDH1A1KMT2A
SCHEMBL8276420 0.67 CNR2 (0.46) TP53ADRA2CMEN1ALDH1A1KMT2A
SCHEMBL20353777 0.66 MAOA (0.46) ADRA2CMEN1ALDH1A1KMT2AGAA
SCHEMBL159025 0.64 ALDH1A1 (0.58) MEN1ALDH1A1KMT2AGAA
SCHEMBL29699544 0.64 ALDH1A1 (0.58) MEN1ALDH1A1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023124537-A1 CONJUGATE AND ANTIBODY-DRUG CONJUGATE PREPARED USING SAME 辽宁键凯科技有限公司 2023-07-06 WO disclosed
US-20210300972-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2021-09-30 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 (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-20210300972-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF FCGR3B, FCGR2A, QPCTL TNKS 4417/4885PARP1 1930/4885TNKS2 4625/4885

“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.