SCHEMBL12595928

SCHEMBL12595928

CCOC(=O)C1CCN(c2ccc(-c3ccc(=O)[nH]n3)cc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13071053 0.88 ALDH1A1 (0.46) LGMNMAPTPOLBTP53HTT
SCHEMBL12595767 0.85 LMNA (0.47) TP53MEN1KMT2AHPGDTSHR
SCHEMBL12595842 0.82 HRH3 (0.43) MAPTTP53MEN1KMT2AHPGD
SCHEMBL12595869 0.82 HRH3 (0.42) MEN1KMT2ALMNA
SCHEMBL12595911 0.81 LMNA (0.41) MEN1KMT2ALMNA
SCHEMBL12595816 0.80 LMNA (0.51) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL12595865 0.80 RAD52 (0.44) MEN1KMT2ALMNA
SCHEMBL12595833 0.79 LMNA (0.50) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL12595747 0.79 LMNA (0.50) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL12595904 0.78 LMNA (0.49) TP53MEN1KMT2AHPGDTSHR

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-8501731-B2 Derivatives of 6[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one having antitumor activity SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-06 — — US disclosed
US-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-05-12 — — 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 (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-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF PDXK, PNPO, HCCS LGMN 3603/4885MAPT 2479/4885POLB 1155/4885

“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.

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