SCHEMBL20116433

SCHEMBL20116433

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5ccc(Cl)cc5F)CC4)n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GRM5 P41594 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 5/20 0.47
TSHR P16473 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL20116430 0.90 GRM5 (0.54) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL22358359 0.89 LMNA (0.54) NPSR1GRM5MEN1KMT2ALMNA
SCHEMBL20116364 0.87 SMN1; SMN2 (0.44) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL22357857 0.86 HSD11B1 (0.54) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL20116452 0.86 MAPT (0.44) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL20116373 0.85 GRM5 (0.55) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL20116476 0.85 SMN1; SMN2 (0.45) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL22358006 0.84 NPSR1 (0.47) ALDH1A1NPSR1GRM5MEN1KMT2A
SCHEMBL22357915 0.83 SMN1; SMN2 (0.56) ALDH1A1NPSR1GRM5LMNATSHR
SCHEMBL22357882 0.83 SMN1; SMN2 (0.54) ALDH1A1NPSR1LMNATSHRSMN1; 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 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 ALDH1A1 656/4885NPSR1 386/4885GRM5 68/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885NPSR1 386/4885GRM5 68/4885

“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.