SCHEMBL21394785

SCHEMBL21394785

CC(C)n1cc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.53
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
GRM5 P41594 5/20 0.47
ALDH1A1 P00352 1/20 0.47
ABL1 P00519 1/20 0.43
P2RX3 P56373 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL29357004 1.00 GCK (0.53) GCKMEN1NPC1CASP3RAB9A
SCHEMBL29354520 0.88 MEN1 (0.53) GCKMEN1NPC1CASP3RAB9A
SCHEMBL21394759 0.88 MEN1 (0.53) GCKMEN1NPC1CASP3RAB9A
SCHEMBL21394910 0.86 NPC1 (0.50) GCKMEN1NPC1CASP3RAB9A
SCHEMBL29356894 0.86 NPC1 (0.50) GCKMEN1NPC1CASP3RAB9A
SCHEMBL21394682 0.81 ALDH1A1 (0.47) GCKMEN1RAB9AKMT2AALDH1A1
SCHEMBL29354654 0.81 ALDH1A1 (0.47) GCKMEN1RAB9AKMT2AALDH1A1
SCHEMBL29357070 0.79 L3MBTL1 (0.47) GCKMEN1NPC1CASP3RAB9A
SCHEMBL21394806 0.79 L3MBTL1 (0.47) GCKMEN1NPC1CASP3RAB9A
SCHEMBL24932144 0.78 ALDH1A1 (0.52) GCKMEN1NPC1CASP3RAB9A

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 GCK 4257/4885MEN1 191/4885NPC1 196/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GCK 3525/4885MEN1 1807/4885NPC1 72/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 GCK 3525/4885MEN1 1807/4885NPC1 72/4885

“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.