SCHEMBL21394865

SCHEMBL21394865

Cc1nccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
WNT3A P56704 6/20 0.44
GPR52 Q9Y2T5 1/20 0.43
SNCA P37840 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM5 P41594 3/20 0.41
TP53 P04637 1/20 0.41
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL29358065 1.00 NR3C2 (0.47) NR3C2NPC1RAB9APKMSMN1; SMN2
SCHEMBL21394918 0.90 GRM5 (0.43) NPC1RAB9ASMN1; SMN2WNT3AGRM5
SCHEMBL21394613 0.88 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL29357133 0.88 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL29442866 0.88 SNCA (0.47) NR3C2NPC1RAB9APKMSMN1; SMN2
SCHEMBL21394844 0.88 SNCA (0.47) NR3C2NPC1RAB9APKMSMN1; SMN2
SCHEMBL21395082 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1WNT3A
SCHEMBL21395171 0.85 NPC1 (0.47) NR3C2NPC1RAB9APKMSMN1; SMN2
SCHEMBL22479673 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GRM5
SCHEMBL21394695 0.84 NR3C2 (0.43) NR3C2NPC1RAB9APKMSMN1; 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 NR3C2 2962/4885NPC1 196/4885RAB9A 2778/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NR3C2 2161/4885NPC1 72/4885RAB9A 2129/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 NR3C2 2161/4885NPC1 72/4885RAB9A 2129/4885

“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.