SCHEMBL2843386

SCHEMBL2843386

CCC(=O)c1ccc(OC)c(N)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
TUBA1A Q71U36 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58
TUBB6 Q9BUF5 1/20 0.58
TUBB2B Q9BVA1 1/20 0.58

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
SCHEMBL28906638 0.87 ALDH1A1 (0.65) ALDH1A1L3MBTL1LMNAHTTTUBB4A
SCHEMBL8284980 0.86 MEN1 (0.59) ALDH1A1L3MBTL1LMNAHTTMEN1
SCHEMBL28522089 0.84 ALDH1A1 (0.61) ALDH1A1L3MBTL1LMNAHTTTUBB4A
SCHEMBL29578705 0.84 MEN1 (0.73) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL515746 0.84 MEN1 (0.73) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL10920479 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1LMNAHTTMEN1
SCHEMBL15054856 0.82 MEN1 (0.62) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL28520561 0.82 ALDH1A1 (0.63) ALDH1A1L3MBTL1LMNAHTTTUBB4A
SCHEMBL310457 0.82 ALDH1A1 (1.00) ALDH1A1L3MBTL1LMNAHTTMEN1
Hydrochloric Acid SCHEMBL11402808 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1LMNAHTTTUBB4A

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-2015031725-A1 TRANSITION METAL-CATALYZED IMIDATION OF ARENES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-05 WO disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A ALDH1A1 121/4885L3MBTL1 4431/4885LMNA 1872/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A ALDH1A1 197/4885L3MBTL1 4430/4885LMNA 1091/4885

“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.