SCHEMBL4143397

SCHEMBL4143397

Cc1ccc(-c2cc(N)c3ccccc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.77
NCF1 P14598 1/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ADORA2A P29274 2/20 0.55
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
ADORA1 P30542 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
AGTR1 P30556 1/20 0.51
GAA P10253 2/20 0.51
ACP1 P24666 1/20 0.51
PDE10A Q9Y233 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL28516025 0.88 ACHE (0.93) ACHENCF1MEN1KMT2AADORA2A
SCHEMBL2873300 0.88 ACHE (1.00) ACHENCF1MEN1KMT2AADORA2A
SCHEMBL27469565 0.85 ACHE (0.70) ACHENCF1MEN1KMT2AADORA2A
SCHEMBL15919363 0.83 ACHE (0.77) ACHENCF1MEN1KMT2ACYP1A1
SCHEMBL26456461 0.83 ALDH1A1 (0.64) ACHEMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL28506567 0.83 KDM4E (0.71) ACHEADORA2ACYP1A1CYP1A2CYP1B1
SCHEMBL5349212 0.82 ACHE (0.51) ACHEMEN1KMT2AADORA2AADORA1
Hydrochloric Acid SCHEMBL29874996 0.81 KDM4E (0.69) ACHEADORA2ACYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL29874770 0.81 KDM4E (0.69) ACHEADORA2ACYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL29874842 0.81 KDM4E (0.69) ACHEADORA2ACYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
EP-3192870-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-07-19 EP disclosed
EP-2694652-B1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-02-01 EP disclosed
US-20090069338-A1 Method for predicting skin sensitizing activity of compounds DICKSON JR JOHN K 2009-03-12 US disclosed
US-7452887-B2 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AMPHORA DISCOVERY CORPORATION (US) 2008-11-18 US disclosed
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AGRIUS GROUP, LLC. 2006-01-12 US 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 (2 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-20090069338-A1 Method for predicting skin sensitizing activity of compounds ATP5ME, ABCG2, ATP5MG ACHE 31/4885NCF1 672/4885MEN1 4572/4885
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ACHE 12/4885NCF1 2180/4885MEN1 3211/4885

“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.