SCHEMBL21394821

SCHEMBL21394821

Cn1nc(C(=O)Nc2ccc(Oc3ccc(F)c(Cl)c3)cn2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CDK8 P49336 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GRM5 P41594 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NTRK1 P04629 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
SCHEMBL29356824 1.00 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2CDK8TSHRHTT
SCHEMBL21395070 0.87 CYP3A4 (0.49) L3MBTL1TSHRHTTCYP3A4CYP1A2
SCHEMBL29357070 0.87 L3MBTL1 (0.47) L3MBTL1CDK8TSHRHTTGRM5
SCHEMBL21394806 0.87 L3MBTL1 (0.47) L3MBTL1CDK8TSHRHTTGRM5
SCHEMBL21395157 0.87 CYP3A4 (0.47) L3MBTL1TSHRCYP3A4CYP1A2CYP2C9
SCHEMBL21394809 0.86 TSHR (0.47) L3MBTL1SMN1; SMN2TSHRCYP3A4CYP1A2
SCHEMBL29359147 0.86 TSHR (0.47) L3MBTL1SMN1; SMN2TSHRCYP3A4CYP1A2
SCHEMBL29355464 0.83 RAB9A (0.47) SMN1; SMN2CDK8CYP3A4CYP1A2GRM5
SCHEMBL21394840 0.83 RAB9A (0.47) SMN1; SMN2CDK8CYP3A4CYP1A2GRM5
SCHEMBL21394832 0.82 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2TSHRHTTGRM5

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 L3MBTL1 3090/4885SMN1; SMN2 121/4885CDK8 1857/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 L3MBTL1 3366/4885SMN1; SMN2 13/4885CDK8 3589/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 L3MBTL1 3366/4885SMN1; SMN2 13/4885CDK8 3589/4885

“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.