SCHEMBL12410052

SCHEMBL12410052

Clc1nc(C2CC2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
APP P05067 2/20 0.42
PDE5A O76074 1/20 0.42
POLB P06746 1/20 0.41
PRKAA2 P54646 1/20 0.41
CHRNA7 P36544 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL30249575 1.00 L3MBTL1 (0.57) L3MBTL1TDP1MAOAMAOBACHE
SCHEMBL2534009 0.91 TDP1 (0.69) L3MBTL1TDP1MAOAMAOBALDH1A1
SCHEMBL30013732 0.91 TDP1 (0.69) L3MBTL1TDP1MAOAMAOBALDH1A1
SCHEMBL10330632 0.86 TDP1 (0.48) L3MBTL1TDP1ALDH1A1KDM4EPOLB
SCHEMBL11740420 0.82 TDP1 (0.44) L3MBTL1TDP1MAOBCYP1A2MEN1
SCHEMBL25254918 0.79 FABP4 (0.53) ACHEBCHEALDH1A1KDM4EFABP4
SCHEMBL1772608 0.78 L3MBTL1 (0.53) L3MBTL1TDP1MAOAMAOBACHE
SCHEMBL1772609 0.78 L3MBTL1 (0.53) L3MBTL1TDP1ACHEBCHEALDH1A1
SCHEMBL4681829 0.76 GPR3 (0.59) MAOAMAOBALDH1A1KDM4EAPP
SCHEMBL30249662 0.76 GPR3 (0.59) MAOAMAOBALDH1A1KDM4EAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020512-A1 SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR 成都奥睿药业有限公司 2023-02-23 WO disclosed
WO-2023020512-A1 SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR 成都奥睿药业有限公司 2023-02-23 WO disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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 (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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B L3MBTL1 4808/4885TDP1 998/4885MAOA 145/4885

“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.