SCHEMBL12595911

SCHEMBL12595911

Cc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCC(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HRH3 Q9Y5N1 11/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ PTK2 Q05397 1/20 0.36

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
SCHEMBL12595767 0.87 LMNA (0.47) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12649105 0.85 PDE3B (0.47) HRH3PDE3BPDE3AITGB2ICAM1
SCHEMBL12595842 0.84 HRH3 (0.43) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12595920 0.84 HRH3 (0.45) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12595816 0.81 LMNA (0.51) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12595865 0.81 RAD52 (0.44) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12595928 0.81 LGMN (0.48) LMNAMEN1KMT2A
SCHEMBL12595833 0.81 LMNA (0.50) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12595747 0.81 LMNA (0.50) LMNAMEN1KMT2AHRH3PDE4A
SCHEMBL12595904 0.79 LMNA (0.49) LMNAMEN1KMT2AHRH3PDE4A

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 LMNA 109/4885MEN1 424/4885KMT2A 1440/4885

“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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