SCHEMBL21394446

SCHEMBL21394446

O=C(Nc1ccc(Cc2cccc(F)c2)nn1)c1ccc(=O)n(C2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 3/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
BRD4 O60885 1/20 0.34
NR3C2 P08235 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL29355321 1.00 ABCC8 (0.39) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL21395136 0.85 ABCC8 (0.44) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL21384487 0.85 ABCC8 (0.43) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL29353780 0.85 ABCC8 (0.43) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL21394582 0.85 TSHR (0.47) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL29358116 0.85 TSHR (0.47) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL29356949 0.83 ABCC8 (0.46) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL21384455 0.83 ABCC8 (0.46) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1
SCHEMBL21394503 0.82 ABCC8 (0.42) ABCC8KCNJ11SMN1; SMN2NPC1RAB9A
SCHEMBL21394452 0.77 RET (0.45) ABCC8KCNJ11SMN1; SMN2NPC1NFKB1

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 ABCC8 1633/4885KCNJ11 1691/4885SMN1; SMN2 121/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ABCC8 1054/4885KCNJ11 418/4885SMN1; SMN2 13/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 ABCC8 1054/4885KCNJ11 418/4885SMN1; SMN2 13/4885

“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.