SCHEMBL29367648

SCHEMBL29367648

Cc1ncncc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRA5 P31644 4/20 0.34
GABRA4 P48169 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRE P78334 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34

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
SCHEMBL25659594 1.00 JUN (0.35) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4277492 0.81 ATR (0.40) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL22791669 0.80 ALDH1A1 (0.43) NFKB1NFKB2RELAALDH1A1ABL1
SCHEMBL30371953 0.79 ALDH1A1 (0.33) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL25659595 0.79 ALDH1A1 (0.33) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL29906642 0.77 TSHR (0.48) ALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL1669584 0.77 TSHR (0.48) ALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL29364820 0.74 HPGD (0.47) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL1667344 0.74 HPGD (0.47) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL8578654 0.74 SMN1; SMN2 (0.45) ALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064955-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ADCENTRX THERAPEUTICS INC (US) 2025-02-27 US disclosed
EP-4426299-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME Adcentrx Therapeutics Inc. (US) 2024-09-11 EP disclosed
WO-2023081232-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 CN 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-20250064955-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ABCB1, DHFR, CD44 JUN 4761/4885NFKB1 2899/4885NFKB2 3522/4885

“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.