SCHEMBL20116642

SCHEMBL20116642

COC(=O)C1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3OC)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
BTK Q06187 1/20 0.58
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL20116641 0.91 KMT2A (0.60) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL16228778 0.89 BTK (0.62) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL2525478 0.89 BTK (0.62) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL20117023 0.88 KMT2A (0.52) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL14750015 0.83 BTK (0.66) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL5842351 0.81 BTK (0.53) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL14814213 0.81 BTK (0.53) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL16876437 0.81 BTK (0.53) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL14826605 0.81 BTK (0.53) KMT2ABTKALDH1A1POLBTDP1
SCHEMBL22343925 0.80 KMT2A (0.52) KMT2ABTKALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KMT2A 2479/4885BTK 3426/4885ALDH1A1 656/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMT2A 2479/4885BTK 3426/4885ALDH1A1 656/4885

“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.