SCHEMBL20117072

SCHEMBL20117072

O=C(c1ccccc1F)N1CCN(c2noc(-c3ccc4cnn(C5CNC5)c4c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GBA1 P04062 1/20 0.40
HTT P42858 2/20 0.39
GRM5 P41594 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR1 P21453 2/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL20116891 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1GBA1HTT
SCHEMBL20116176 0.84 DGAT1 (0.36) HTTLMNAS1PR1MAPTSMN1; SMN2
SCHEMBL20117041 0.82 GBA1 (0.41) ALDH1A1KDM4EGBA1LMNAS1PR1
SCHEMBL20116963 0.81 GPR119 (0.45)
SCHEMBL20676449 0.81 S1PR1 (0.41) ALDH1A1KDM4EL3MBTL1S1PR1
SCHEMBL20117213 0.80 S1PR1 (0.41) ALDH1A1GBA1S1PR1TSHR
SCHEMBL20116223 0.78 SMN1; SMN2 (0.44) ALDH1A1KDM4EGRM5LMNAMEN1
SCHEMBL20676475 0.76 GPR119 (0.39)
SCHEMBL20116183 0.75 S1PR1 (0.43) LMNAS1PR1MAPTTSHRMAPK1
SCHEMBL20116074 0.74 PIK3CA (0.37) HTTLMNAS1PR1MAPT

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 5 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-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 656/4885KDM4E 2853/4885L3MBTL1 3366/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885KDM4E 2853/4885L3MBTL1 3366/4885

“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.