SCHEMBL770140

SCHEMBL770140

Cc1cccc(C)c1NNc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
TSHR P16473 2/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
P2RX7 Q99572 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 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
SCHEMBL22280009 0.85 CYP1A2 (0.41) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL22169098 0.84 ALDH1A1 (0.57) CYP1A2TSHRACHEALDH1A1P2RX7
SCHEMBL14753773 0.83 ALDH1A1 (0.41) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL11171249 0.81 PTGS2 (0.50) ALDH1A1MEN1KMT2APOLB
SCHEMBL2927525 0.80 ALDH1A1 (0.54) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL1006539 0.78 CYP1A2 (0.45) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL5083013 0.78 RAPGEF4 (0.52) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL11124720 0.78 GAA (0.52) CYP1A2CYP2A6TSHRALDH1A1MEN1
SCHEMBL11249001 0.77 P2RX7 (0.64) CYP1A2ALDH1A1P2RX7L3MBTL1MEN1
SCHEMBL9644071 0.75 CYP1A2 (0.43) CYP1A2CYP2A6TSHRACHEALDH1A1

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-2022149487-A1 METHOD FOR TESTING POSSIBILITY OF HAVING CONTRACTED PROSTATE CANCER 住友化学株式会社 2022-07-14 WO claimed
EP-1971568-B1 PROCESS FOR CONTINUOUS PREPARATION OF A PRIMARY AROMATIC AMINE BASF SE (DE) 2011-08-03 EP claimed
WO-2022149487-A1 METHOD FOR TESTING POSSIBILITY OF HAVING CONTRACTED PROSTATE CANCER 住友化学株式会社 2022-07-14 WO disclosed
CN-107144644-A It is vertical to reach the mould assay method about material 上海海洋大学 2017-09-08 CN disclosed
US-20120071692-A1 PROCESS FOR THE PREPARATION OF AROMATIC AMINES BASF SE (DE) 2012-03-22 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 (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-20120071692-A1 PROCESS FOR THE PREPARATION OF AROMATIC AMINES ADH1A, ADH5, ADH1C CYP1A2 44/4885CYP2A6 632/4885TSHR 997/4885

“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.