SCHEMBL20116629

SCHEMBL20116629

CC(C)c1ccc(C(=O)N2CCC(C#N)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MGLL Q99685 11/20 0.54
▸ MAPT P10636 1/20 0.53
▸ FAAH O00519 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ L3MBTL3 Q96JM7 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL22854291 0.85 ALDH1A1 (0.56) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL7420245 0.84 MGLL (0.59) KMT2AMEN1SMN1; SMN2MGLLPOLB
SCHEMBL14923995 0.82 KMT2A (0.69) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL20013935 0.82 ALDH1A1 (0.69) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL10495198 0.81 ALDH1A1 (0.89) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL23844171 0.81 KMT2A (0.67) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL6978405 0.80 ACHE (0.63) KMT2AMEN1SMN1; SMN2MGLLL3MBTL3
SCHEMBL20116334 0.79 MAPT (0.70) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL25442209 0.78 KMT2A (0.63) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL20883799 0.78 ALDH1A1 (0.63) KMT2AALDH1A1MEN1LMNASMN1; SMN2

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 10 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
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 — — US disclosed
WO-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 — — WO 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-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 (3 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 2479/4885ALDH1A1 656/4885MEN1 1807/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 KMT2A 3385/4885ALDH1A1 3889/4885MEN1 3934/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMT2A 2479/4885ALDH1A1 656/4885MEN1 1807/4885

“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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