SCHEMBL20116631

SCHEMBL20116631

COc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccn4)CC3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.53
HTT P42858 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47

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
SCHEMBL30506200 1.00 SMO (0.53) SMOHTTTSHRMEN1CYP3A4
SCHEMBL20116462 0.89 SMO (0.57) SMOHTTTSHRMEN1CYP3A4
SCHEMBL30720960 0.89 SMO (0.57) SMOHTTTSHRMEN1CYP3A4
SCHEMBL20116644 0.88 TSHR (0.64) SMOHTTTSHRMEN1CYP3A4
SCHEMBL30506318 0.88 TSHR (0.64) SMOHTTTSHRMEN1CYP3A4
SCHEMBL20116611 0.87 KMT2A (0.57) SMOHTTTSHRMEN1CYP3A4
SCHEMBL20660824 0.87 HTR1A (0.54) SMOHTTTSHRMEN1CYP3A4
SCHEMBL22358095 0.86 SMO (0.53) SMOHTTTSHRMEN1CYP3A4
SCHEMBL20116118 0.86 TUBB4A (0.55) SMOHTTTSHRMEN1CYP3A4
SCHEMBL20116550 0.85 SMO (0.53) SMOHTTTSHRMEN1CYP3A4

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 12 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-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 SMO 1858/4885HTT 6/4885TSHR 4679/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMO 1858/4885HTT 6/4885TSHR 4679/4885

“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.