SCHEMBL20116402

SCHEMBL20116402

O=C(C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.58
▸ LMNA P02545 4/20 0.58
▸ TP53 P04637 4/20 0.57
▸ HTT P42858 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ HSD11B1 P28845 4/20 0.54
▸ CYP2C9 P11712 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CNR2 P34972 1/20 0.51
▸ HPGDS O60760 1/20 0.49
▸ FAAH O00519 1/20 0.49
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL31546317 0.90 MAPT (0.56) MAPTLMNATP53HTTALDH1A1
SCHEMBL31546395 0.90 MAPT (0.54) MAPTLMNATP53HTTALDH1A1
SCHEMBL31546387 0.89 LMNA (0.61) MAPTLMNATP53HTTALDH1A1
SCHEMBL30584779 0.87 GRM5 (0.58) MAPTLMNATP53
SCHEMBL25433381 0.86 MAPT (0.73) MAPTLMNATP53HTTALDH1A1
SCHEMBL25433506 0.85 KMT2A (0.55) MAPTLMNATP53HTTALDH1A1
SCHEMBL31546323 0.84 MAPT (0.56) MAPTLMNATP53HTTALDH1A1
SCHEMBL27814281 0.82 HTT (0.58) MAPTLMNAHTTKDM4ESMN1; SMN2
SCHEMBL12506166 0.79 GPR119 (0.51) MAPTLMNATP53HTTALDH1A1
SCHEMBL31546398 0.76 MAPT (0.75) MAPTLMNATP53HTTALDH1A1

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
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-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 MAPT 22/4885LMNA 1966/4885TP53 4352/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885LMNA 1966/4885TP53 4352/4885

“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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