SCHEMBL21394513

SCHEMBL21394513

CN1N=C(C(=O)Nc2ccc(Cc3ccccc3)nn2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
GLS O94925 7/20 0.44
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC1A2 P43004 1/20 0.36
ENPP2 Q13822 1/20 0.36
RECQL P46063 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
BRD4 O60885 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
SCHEMBL29358510 1.00 RAB9A (0.47) RAB9AGLSALDH1A1SMN1; SMN2LMNA
SCHEMBL21394590 0.88 RAB9A (0.45) RAB9AGLSHTT
SCHEMBL29356718 0.88 RAB9A (0.45) RAB9AGLSALDH1A1SMN1; SMN2MAPT
SCHEMBL21394591 0.88 RAB9A (0.45) RAB9AGLSALDH1A1SMN1; SMN2MAPT
SCHEMBL29353835 0.88 RAB9A (0.45) RAB9AGLSLMNAMAPT
SCHEMBL21394583 0.88 RAB9A (0.45) RAB9AGLSLMNAMAPT
SCHEMBL29353907 0.88 RAB9A (0.45) RAB9AGLSHTT
SCHEMBL29358369 0.86 RAB9A (0.44) RAB9AGLSALDH1A1MAPTBRD4
SCHEMBL21394501 0.86 RAB9A (0.44) RAB9AGLSALDH1A1MAPTBRD4
SCHEMBL21394507 0.85 RAB9A (0.43) RAB9AGLSHTT

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
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (3 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 RAB9A 2778/4885GLS 282/4885ALDH1A1 293/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RAB9A 2129/4885GLS 732/4885ALDH1A1 656/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 RAB9A 2129/4885GLS 732/4885ALDH1A1 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.