SCHEMBL21394830

SCHEMBL21394830

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 1/20 0.35
FAAH O00519 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL29359383 1.00 RAB9A (0.53) RAB9APOLBSIRT2GFERMAPT
SCHEMBL29357147 0.80 RAB9A (0.47) RAB9AMAPTALDH1A1CYP2C19L3MBTL1
SCHEMBL21394495 0.80 RAB9A (0.47) RAB9AMAPTALDH1A1CYP2C19L3MBTL1
SCHEMBL22479678 0.79 RAB9A (0.43) RAB9APOLBGFERMAPTALDH1A1
SCHEMBL21394513 0.79 RAB9A (0.47) RAB9AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL29358510 0.79 RAB9A (0.47) RAB9AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL22479672 0.79 RAB9A (0.45) RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL21394439 0.79 RAB9A (0.45) RAB9AMAPTL3MBTL1GAASMN1; SMN2
SCHEMBL21394583 0.79 RAB9A (0.45) RAB9AMAPTCYP2C19
SCHEMBL29357953 0.79 RAB9A (0.45) RAB9AMAPTL3MBTL1GAASMN1; 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 10 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
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-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 2778/4885POLB 3273/4885SIRT2 447/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RAB9A 2129/4885POLB 3788/4885SIRT2 717/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 RAB9A 2129/4885POLB 3788/4885SIRT2 717/4885

“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.