SCHEMBL18456794

SCHEMBL18456794

O=C(Nc1ccccc1)[C@H](I)Cn1ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.48
▸ RAD52 P43351 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ AGER Q15109 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL22225868 0.84 KMT2A (0.56) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL3307080 0.77 KMT2A (0.68) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL18965315 0.76 DNM1 (0.51) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL18964880 0.76 DNM1 (0.51) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL21466938 0.73 MAPK1 (0.68) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL3188818 0.73 KMT2A (0.62) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL23774829 0.73 MEN1 (0.60) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL21466931 0.73 MEN1 (0.60) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL7927457 0.73 MEN1 (0.60) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL24328242 0.72 KMT2A (0.60) KDM4EKMT2AMEN1LMNAALDH1A1

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-11648234-B2 Selective androgen receptor degrader (SARD) ligands and methods of use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-05-16 — — US disclosed
US-10017471-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-10 — — US disclosed
US-9814698-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-11-14 — — US disclosed
US-20170095446-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2017-04-06 — — US disclosed
US-20170029370-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF ONCTERNAL THERAPEUTICS, INC 2017-02-02 — — 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-20170095446-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, AHR, UBE2V1 KDM4E 497/4885KMT2A 723/4885MEN1 3802/4885
US-10017471-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof AR, AHR, ADRM1 KDM4E 900/4885KMT2A 1022/4885MEN1 3223/4885
US-11648234-B2 Selective androgen receptor degrader (SARD) ligands and methods of use AR, BRCA1, FSHR KDM4E 1046/4885KMT2A 977/4885MEN1 2841/4885
US-20170029370-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, AHR, ADRM1 KDM4E 900/4885KMT2A 1022/4885MEN1 3223/4885

“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.

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