SCHEMBL21362092

SCHEMBL21362092

CC(N)c1cc(=O)n(C)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NFKB1 P19838 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PNMT P11086 1/20 0.32
BRD4 O60885 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL11249662 0.72 HTR2C (0.38) LMNAHTTALDH1A1NFKB1KDM4E
SCHEMBL21362091 0.72 USP2 (0.41) LMNATP53HTTALDH1A1NPC1
SCHEMBL17582632 0.72 BRD4 (0.56) LMNATP53HTTALDH1A1KDM4E
SCHEMBL958525 0.71 HTR2C (0.37) LMNATP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21352038 0.70 KDM4E (0.31) KDM4E
SCHEMBL11260338 0.69 HTR2C (0.36) ALDH1A1HTR2CBRD4
SCHEMBL21557870 0.69 BPTF (0.35) HTR2CBRD4
SCHEMBL20157969 0.69 TRPA1 (0.40) LMNATP53ALDH1A1KDM4EMEN1
SCHEMBL21352036 0.69 LPAR1 (0.34) LMNAHTT
SCHEMBL21352034 0.68 CNR1 (0.34) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP 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 (1 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 LMNA 2333/4885TP53 197/4885HTT 1073/4885

“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.