SCHEMBL20116742

SCHEMBL20116742

O=C(c1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnn(C5COC5)c4c3)no2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.54
HTT P42858 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMO Q99835 4/20 0.44
GRM5 P41594 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 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
SCHEMBL20116752 0.89 LMNA (0.56) HSD11B1HTTALDH1A1TSHRSMN1; SMN2
SCHEMBL20116228 0.86 HSD11B1 (0.47) HSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20116864 0.85 LMNA (0.44) HTTALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL22358015 0.85 HSD11B1 (0.54) HSD11B1HTTALDH1A1TSHRSMN1; SMN2
SCHEMBL22357857 0.85 HSD11B1 (0.54) HSD11B1HTTALDH1A1TSHRSMN1; SMN2
SCHEMBL20674689 0.85 SMN1; SMN2 (0.53) HSD11B1HTTALDH1A1TSHRSMN1; SMN2
SCHEMBL20116039 0.83 SMO (0.52) HTTALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL21611280 0.82 SMN1; SMN2 (0.55) HTTALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL20117041 0.82 GBA1 (0.41) HSD11B1ALDH1A1LMNA
SCHEMBL20116743 0.81 LMNA (0.52) HTTALDH1A1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 HSD11B1 1676/4885HTT 6/4885ALDH1A1 656/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HSD11B1 1676/4885HTT 6/4885ALDH1A1 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.